<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:g="http://www.iochem-bd.org/dictionary/gaussian/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:compchem="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        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 09</scalar>
               </parameter>
               <parameter dictRef="cc:hostname">
                  <scalar dataType="xsd:string">GINC-N58</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">CRAIGMI</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">tpssh-Fe-20-OOH-triplet</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">ES64L-G09RevE.01</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">25-Jan-2019</scalar>
               </parameter>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 09</scalar>
               </parameter>
               <parameter dictRef="cc:program.date">
                  <scalar dataType="xsd:string">30-Nov-2015</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">ES64L-G09RevE.01</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:degfreedom">
                  <scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">135</scalar>
               </parameter>
               <parameter dictRef="cc:degfreedom">
                  <scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">135</scalar>
               </parameter>
               <parameter dictRef="cc:frameworkgroup">
                  <scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C17H15Cl2F2FeN4O6)]</scalar>
               </parameter>
               <parameter dictRef="cc:frameworkgroup">
                  <scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C17H15Cl2F2FeN4O6)]</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">UTPSSh</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">Gen</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">FOpt</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#p</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">opt</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">freq</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">tpssh/gen</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">scrf=(smd,solvent=h2o)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">pseudo=read</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="mol"
                      formalCharge="-1"
                      id="zmat"
                      spinMultiplicity="3">
               <atomArray>
                  <atom elementType="Fe"
                        id="a1"
                        x3="0.76596"
                        y3="0.03619"
                        z3="0.20093"/>
                  <atom elementType="N"
                        id="a2"
                        x3="-0.58685"
                        y3="1.29323"
                        z3="-0.0464"/>
                  <atom elementType="N"
                        id="a3"
                        x3="1.92574"
                        y3="1.5240"
                        z3="-0.13134"/>
                  <atom elementType="N"
                        id="a4"
                        x3="1.93971"
                        y3="-1.40307"
                        z3="-0.23557"/>
                  <atom elementType="N"
                        id="a5"
                        x3="-0.57145"
                        y3="-1.19533"
                        z3="-0.14451"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-1.86704"
                        y3="0.75454"
                        z3="-0.01888"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-1.85688"
                        y3="-0.67444"
                        z3="-0.0647"/>
                  <atom elementType="C"
                        id="a8"
                        x3="-3.08632"
                        y3="1.44793"
                        z3="0.00298"/>
                  <atom elementType="C"
                        id="a9"
                        x3="-3.0667"
                        y3="-1.38569"
                        z3="-0.07394"/>
                  <atom elementType="C"
                        id="a10"
                        x3="-4.27637"
                        y3="0.72641"
                        z3="0.00663"/>
                  <atom elementType="H"
                        id="a11"
                        x3="-3.10162"
                        y3="2.52784"
                        z3="0.03739"/>
                  <atom elementType="C"
                        id="a12"
                        x3="-4.26634"
                        y3="-0.68201"
                        z3="-0.03045"/>
                  <atom elementType="H"
                        id="a13"
                        x3="-3.06714"
                        y3="-2.46584"
                        z3="-0.10042"/>
                  <atom elementType="C"
                        id="a14"
                        x3="1.26619"
                        y3="2.83309"
                        z3="-0.38222"/>
                  <atom elementType="C"
                        id="a15"
                        x3="-0.24737"
                        y3="2.60254"
                        z3="-0.27507"/>
                  <atom elementType="O"
                        id="a16"
                        x3="-1.0613"
                        y3="3.52944"
                        z3="-0.41349"/>
                  <atom elementType="C"
                        id="a17"
                        x3="1.67379"
                        y3="3.88305"
                        z3="0.6683"/>
                  <atom elementType="H"
                        id="a18"
                        x3="2.73597"
                        y3="4.11674"
                        z3="0.57656"/>
                  <atom elementType="H"
                        id="a19"
                        x3="1.09873"
                        y3="4.79895"
                        z3="0.50651"/>
                  <atom elementType="H"
                        id="a20"
                        x3="1.47381"
                        y3="3.51611"
                        z3="1.67951"/>
                  <atom elementType="C"
                        id="a21"
                        x3="1.53175"
                        y3="3.34197"
                        z3="-1.81632"/>
                  <atom elementType="H"
                        id="a22"
                        x3="0.94519"
                        y3="4.24811"
                        z3="-1.99108"/>
                  <atom elementType="H"
                        id="a23"
                        x3="2.58943"
                        y3="3.57488"
                        z3="-1.94493"/>
                  <atom elementType="H"
                        id="a24"
                        x3="1.23924"
                        y3="2.58615"
                        z3="-2.55189"/>
                  <atom elementType="C"
                        id="a25"
                        x3="-0.21931"
                        y3="-2.49501"
                        z3="-0.41679"/>
                  <atom elementType="C"
                        id="a26"
                        x3="1.29331"
                        y3="-2.69741"
                        z3="-0.58176"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-1.02494"
                        y3="-3.42612"
                        z3="-0.56508"/>
                  <atom elementType="C"
                        id="a28"
                        x3="1.74675"
                        y3="-3.84236"
                        z3="0.34256"/>
                  <atom elementType="H"
                        id="a29"
                        x3="1.14782"
                        y3="-4.73233"
                        z3="0.13035"/>
                  <atom elementType="H"
                        id="a30"
                        x3="2.79684"
                        y3="-4.07875"
                        z3="0.16445"/>
                  <atom elementType="H"
                        id="a31"
                        x3="1.61341"
                        y3="-3.56948"
                        z3="1.39241"/>
                  <atom elementType="C"
                        id="a32"
                        x3="1.51992"
                        y3="-3.06533"
                        z3="-2.0659"/>
                  <atom elementType="H"
                        id="a33"
                        x3="2.57963"
                        y3="-3.25076"
                        z3="-2.2472"/>
                  <atom elementType="H"
                        id="a34"
                        x3="0.95679"
                        y3="-3.97231"
                        z3="-2.30296"/>
                  <atom elementType="H"
                        id="a35"
                        x3="1.17932"
                        y3="-2.25735"
                        z3="-2.7206"/>
                  <atom elementType="C"
                        id="a36"
                        x3="3.25676"
                        y3="1.4255"
                        z3="-0.18958"/>
                  <atom elementType="C"
                        id="a37"
                        x3="3.26837"
                        y3="-1.28627"
                        z3="-0.28391"/>
                  <atom elementType="C"
                        id="a38"
                        x3="3.8310"
                        y3="0.05453"
                        z3="0.26792"/>
                  <atom elementType="O"
                        id="a39"
                        x3="4.07949"
                        y3="2.31367"
                        z3="-0.5008"/>
                  <atom elementType="O"
                        id="a40"
                        x3="4.09987"
                        y3="-2.14298"
                        z3="-0.65845"/>
                  <atom elementType="F"
                        id="a41"
                        x3="5.1770"
                        y3="0.06886"
                        z3="0.03209"/>
                  <atom elementType="F"
                        id="a42"
                        x3="3.70534"
                        y3="0.00798"
                        z3="1.66285"/>
                  <atom elementType="O"
                        id="a43"
                        x3="0.68565"
                        y3="-0.03681"
                        z3="1.9019"/>
                  <atom elementType="Cl"
                        id="a44"
                        x3="-5.78107"
                        y3="1.6099"
                        z3="0.07749"/>
                  <atom elementType="Cl"
                        id="a45"
                        x3="-5.75876"
                        y3="-1.58888"
                        z3="-0.00945"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.70137"
                        y3="-1.36493"
                        z3="2.45615"/>
                  <atom elementType="H"
                        id="a47"
                        x3="0.33321"
                        y3="-1.1878"
                        z3="3.3463"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a43" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a3 a36" order="S"/>
                  <bond atomRefs2="a4 a26" order="S"/>
                  <bond atomRefs2="a4 a37" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a25" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a10 a44" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a12 a45" order="S"/>
                  <bond atomRefs2="a14 a21" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a32" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a40" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a41" order="S"/>
                  <bond atomRefs2="a43 a46" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
               </bondArray>
               <formula concise="C 17 H 15 Cl 2 F 2 Fe 1 N 4 O 6"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">520.9529063999997</scalar>
               </property>
               <list cmlx:templateRef="charge">
                  <list>
                     <scalar dataType="xsd:integer" dictRef="g:charge">-1</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:mult">3</scalar>
                  </list>
               </list>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C17H14Cl2F2N4O4.Fe.H2O2/c1-15(2)11(26)22-9-5-7(18)8(19)6-10(9)23-12(27)16(3,4)25-14(29)17(20,21)13(28)24-15;;1-2/h5-6H,1-4H3;;1-2H/q-4;+5;/p-1">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:17,21,28,32,8,9,10,12,6,7,15,25,36,37,14,26,38,44,45,41,42,2,5,3,4,16,27,39,40;1;43,46/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29);;(1,2)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,22-1,23-1,24-1,25-1,26.1,27.1,28.1,29.1;;/rA:47FeNNNNC3C3C3C3C3HC3HCC3O1CHHHCHHHC3CO1CHHHCHHHC3C3CO1O1FFOClClOH/rB:s1;s1;s1;s1;s2;s5s6;s6;s7;s8;s8;s9s10;s9;s3;s2s14;s15;s14;s17;s17;s17;s14;s21;s21;s21;s5;s4s25;s25;s26;s28;s28;s28;s26;s32;s32;s32;s3;s4;s36s37;s36;s37;s38;s38;s1;s10;s12;s43;s46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="entering" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:link0">g09</scalar>
                  <array dataType="xsd:string" dictRef="g:command" size="3">/ichec/packages/gaussian/09e01/l1.exe "/localscratch/40327/Gau-71202.inp" -scrdir="/localscratch/40327/"</array>
               </module>
               <module cmlx:templateRef="l1" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l1.end">
                     <array dataType="xsd:string" dictRef="g:kk" size="1">chk=tpssh-Fe-20-OOH-triplet.chk</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">nprocshared=40</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">mem=100GB</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#p opt freq tpssh/gen scrf=(smd,solvent=h2o) pseudo=read</scalar>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">1/14=-1,18=20,19=15,26=3,38=1/1,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,12=2,17=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=32201,71=1,72=1,74=-35/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4//1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,38=5,53=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,28=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">7//1,2,3,16</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">1/14=-1,18=20,19=15,26=3/3(2)</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110/2</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=110/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=7,6=1,11=2,16=1,17=8,25=1,30=1,70=32205,71=1,72=1,74=-35,82=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=2,38=5,53=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">7//1,2,3,16</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">1/14=-1,18=20,19=15,26=3/3(-5)</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,19=2,28=1/1</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">tpssh-Fe-20-OOH-triplet</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="47">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</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="47">56 14 14 14 14 12 12 12 12 12 1 12 1 12 12 16 12 1 1 1 12 1 1 1 12 12 16 12 1 1 1 12 1 1 1 12 12 12 16 16 19 19 16 35 35 16 1</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="47">55.9349393 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 15.9949146 15.9949146 18.9984033 18.9984033 15.9949146 34.9688527 34.9688527 15.9949146 1.0078250</array>
                     <array cmlx:templateRef="nucspn"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="47">0 2 2 2 2 0 0 0 0 0 1 0 1 0 0 0 0 1 1 1 0 1 1 1 0 0 0 0 1 1 1 0 1 1 1 0 0 0 0 0 1 1 0 3 3 0 1</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="47">0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000</array>
                  </module>
                  <list cmlx:templateRef="rest">
                     <scalar dataType="xsd:string" dictRef="x:l101">(Enter /ichec/packages/gaussian/09e01/l101.exe)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Initialization pass.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.init">
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="51">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="51">1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 7 8 8 9 9 10 10 12 14 14 14 15 17 17 17 21 21 21 25 25 26 26 28 28 28 32 32 32 36 36 37 37 38 38 43 46</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="51">2 3 4 5 43 6 15 14 36 26 37 7 25 7 8 9 10 11 12 13 12 44 45 15 17 21 16 18 19 20 22 23 24 26 27 28 32 29 30 31 33 34 35 38 39 38 40 41 42 46 47</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="51">1.8632 1.9155 1.9078 1.8506 1.7044 1.3892 1.3718 1.4872 1.3359 1.4876 1.3347 1.3893 1.3738 1.4297 1.4028 1.4034 1.3917 1.0806 1.3915 1.0805 1.4089 1.7463 1.7465 1.5348 1.5402 1.5447 1.2413 1.0914 1.0935 1.0942 1.0935 1.0906 1.0945 1.535 1.2402 1.5398 1.5458 1.0935 1.091 1.0929 1.091 1.0936 1.0943 1.5552 1.25 1.5552 1.2513 1.3666 1.4014 1.4392 0.9794</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="51">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="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="96">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 A96</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="96">2 2 2 2 3 3 3 4 4 5 1 1 6 1 1 14 1 1 26 1 1 7 2 2 7 5 5 6 6 6 10 7 7 12 8 8 12 9 9 10 3 3 3 15 15 17 2 2 14 14 14 14 18 18 19 14 14 14 22 22 23 5 5 26 4 4 4 25 25 28 26 26 26 29 29 30 26 26 26 33 33 34 3 3 38 4 4 38 36 36 36 37 37 41 1 43</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="96">1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 12 12 12 14 14 14 14 14 14 15 15 15 17 17 17 17 17 17 21 21 21 21 21 21 25 25 25 26 26 26 26 26 26 28 28 28 28 28 28 32 32 32 32 32 32 36 36 36 37 37 37 38 38 38 38 38 38 43 46</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="96">3 4 5 43 4 5 43 5 43 43 6 15 15 14 36 36 26 37 37 7 25 25 7 8 8 6 9 9 10 11 11 12 13 13 12 44 44 10 45 45 15 17 21 17 21 21 14 16 16 18 19 20 19 20 20 22 23 24 23 24 24 26 27 27 25 28 32 28 32 32 29 30 31 30 31 31 33 34 35 34 35 35 38 39 39 38 40 40 37 41 42 41 42 42 46 47</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="96">83.832 157.7171 84.2301 97.3051 100.0073 157.2342 103.5863 84.254 103.0038 97.1074 113.882 119.1033 126.9756 116.3887 123.6102 119.9615 116.2512 123.6927 120.0185 114.1077 118.7717 127.1048 112.3579 127.5607 120.0457 112.5291 127.3891 120.0401 119.1443 120.45 120.3934 119.1242 120.4743 120.396 120.8033 118.3342 120.8585 120.8293 118.3271 120.8416 107.0594 111.571 111.7379 108.4075 106.4896 111.2943 113.5198 124.6826 121.7827 110.2539 109.3234 110.6943 108.6639 109.1085 108.7544 109.2178 110.2764 110.5182 108.9294 108.7531 109.111 113.4935 124.5744 121.8903 106.7649 112.2915 111.52 108.8887 106.2031 110.8675 109.1098 110.2771 110.7972 108.6115 108.8323 109.1687 110.0237 109.2709 110.6746 108.856 109.1725 108.8083 114.8385 127.8946 117.1658 115.0068 127.7682 117.1347 121.4688 107.6785 106.7982 107.7052 106.9848 105.0962 115.0449 100.3121</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="96">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>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="157">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 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="157">3 3 4 4 5 5 43 43 2 2 4 4 5 5 43 43 2 2 3 3 5 5 43 43 2 2 3 3 4 4 43 43 2 3 4 5 1 1 15 15 1 1 6 6 1 1 1 36 36 36 1 1 14 14 1 1 1 37 37 37 1 1 26 26 1 1 25 25 1 1 7 7 2 2 8 8 2 2 7 7 5 5 6 6 6 6 11 11 7 7 13 13 8 8 44 44 3 3 17 17 21 21 3 3 3 15 15 15 21 21 21 3 3 3 15 15 15 17 17 17 5 5 5 27 27 27 4 4 4 25 25 25 32 32 32 4 4 4 25 25 25 28 28 28 3 3 3 39 39 39 4 4 4 40 40 40 1</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="157">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 25 25 25 25 25 25 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 36 36 36 36 36 36 37 37 37 37 37 37 43</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="157">2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 43 43 43 43 6 6 6 6 15 15 15 15 14 14 14 14 14 14 36 36 36 36 26 26 26 26 26 26 37 37 37 37 7 7 7 7 25 25 25 25 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 12 12 12 12 12 12 12 12 15 15 15 15 15 15 17 17 17 17 17 17 17 17 17 21 21 21 21 21 21 21 21 21 26 26 26 26 26 26 28 28 28 28 28 28 28 28 28 32 32 32 32 32 32 32 32 32 38 38 38 38 38 38 38 38 38 38 38 38 46</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="157">6 15 6 15 6 15 6 15 14 36 14 36 14 36 14 36 26 37 26 37 26 37 26 37 7 25 7 25 7 25 7 25 46 46 46 46 7 8 7 8 14 16 14 16 15 17 21 15 17 21 38 39 38 39 25 28 32 25 28 32 38 40 38 40 6 9 6 9 26 27 26 27 5 9 5 9 10 11 10 11 12 13 12 13 12 44 12 44 10 45 10 45 9 45 9 45 2 16 2 16 2 16 18 19 20 18 19 20 18 19 20 22 23 24 22 23 24 22 23 24 4 28 32 4 28 32 29 30 31 29 30 31 29 30 31 33 34 35 33 34 35 33 34 35 37 41 42 37 41 42 36 41 42 36 41 42 47</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="157">175.3577 -2.5246 73.9828 -103.8995 14.7778 -163.1045 -81.6773 100.4404 0.7329 -176.9729 158.5554 -19.1503 59.4789 -118.2268 -95.3207 86.9735 -60.2709 117.4951 -158.4852 19.2808 -1.07 176.696 94.9221 -87.312 -15.2704 166.0754 -73.948 107.3978 -176.1616 5.1842 81.4019 -97.2522 134.3187 -140.2964 -36.4516 49.2613 -11.3109 170.8894 166.3729 -11.4268 3.6467 -177.7394 -173.9294 4.6845 0.8693 119.3263 -115.3614 178.6639 -62.8791 62.4333 -9.8215 173.9699 172.5508 -3.6578 -2.5099 -121.7788 113.0881 179.6368 60.3679 -64.7652 9.5853 -173.9991 -172.7287 3.6868 12.7082 -169.6654 -168.771 8.8554 -7.9126 174.406 173.6278 -4.0536 -0.8204 -178.642 177.1647 -0.6569 178.9287 -2.3373 1.2796 -179.9864 -177.825 3.029 -0.3578 -179.5038 -0.9073 178.3773 -179.6421 -0.3575 0.743 -178.752 179.8897 0.3947 -0.1114 179.3708 -179.378 0.1043 -2.711 178.6299 -123.2043 58.1366 116.9495 -61.7096 65.9021 -174.7008 -54.9212 -176.45 -57.0528 62.7268 -59.656 59.7412 179.5208 174.0536 -66.275 54.451 57.477 177.1485 -62.1256 -60.4812 59.1902 179.9162 6.2728 127.7244 -112.8377 -175.9757 -54.5241 64.9139 172.6457 -68.1396 52.8421 54.6273 173.842 -65.1763 -61.864 57.3507 178.3324 65.5976 -174.9421 -55.1414 -178.4601 -58.9998 60.8009 -60.3243 59.136 178.9367 49.695 174.3972 -73.1606 -133.6674 -8.9652 103.477 -49.6504 -174.3403 73.1173 133.5331 8.8432 -103.6992 -160.6881</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="g:deriv"
                               size="157">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|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 cmlx:templateRef="l103.trust">
                     <scalar dataType="xsd:double" dictRef="g:trustrad">3.00e-01</scalar>
                     <scalar dataType="xsd:double" dictRef="g:fncerr">1.00e-07</scalar>
                     <scalar dataType="xsd:double" dictRef="g:grderr">1.00e-06</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:nstep">282</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:allowedstep">282</scalar>
                  </module>
                  <module cmlx:templateRef="l103.catchall">
                     <list cmlx:templateRef="l103.discard">
                        <scalar dataType="xsd:string" dictRef="x:discard"/>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l302.basis" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="basis">
                     <array dataType="xsd:string" dictRef="g:basis" size="11">NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="8">NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="5">One-electron integrals computed using PRISM.</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="6">1 Symmetry operations used in ECPInt.</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="9">ECPInt: NShTT= 18915 NPrTT= 106678 LenC2= 15837 LenP2D= 50461.</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="6">LDataN: DoStor=T MaxTD1= 6 Len= 172</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="8">NBasis= 602 RedAO= T EigKep= 1.14D-04 NBF= 602</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 602 1.00D-06 EigRej= -1.00D+00 NBFU= 602</array>
                  </list>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Using GEDIIS/GDIIS optimizer.</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 58 out of a maximum of 282</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="135">0.00145 0.00209 0.00221 0.00238 0.00243 0.00259 0.00327 0.00365 0.00630 0.00805 0.01012 0.01296 0.01538 0.01733 0.01958 0.02023 0.02046 0.02087 0.02093 0.02098 0.02123 0.02143 0.02163 0.02467 0.02663 0.02817 0.03446 0.03869 0.04358 0.04834 0.05028 0.05181 0.05509 0.05539 0.05540 0.05549 0.05567 0.05699 0.05716 0.05729 0.05743 0.05827 0.06402 0.06946 0.07494 0.08055 0.08701 0.09970 0.10756 0.12852 0.13739 0.15267 0.15690 0.15939 0.15977 0.15982 0.16002 0.16006 0.16016 0.16027 0.16054 0.16069 0.16094 0.16193 0.16226 0.16412 0.17190 0.17632 0.18097 0.18451 0.19633 0.19977 0.20492 0.20805 0.22060 0.22304 0.22973 0.23388 0.23952 0.24389 0.24586 0.24763 0.24967 0.24999 0.25122 0.25145 0.25619 0.25964 0.27118 0.27755 0.27933 0.28013 0.28111 0.28510 0.28718 0.29310 0.30412 0.30840 0.30924 0.33277 0.34085 0.34309 0.34329 0.34346 0.34417 0.34431 0.34439 0.34483 0.34662 0.34715 0.34792 0.34876 0.35512 0.35904 0.35945 0.36642 0.39610 0.41955 0.42872 0.43420 0.44696 0.45101 0.45461 0.46324 0.46934 0.47383 0.47867 0.51563 0.52030 0.56378 0.59727 0.82243 0.83140 0.85311 0.86604</array>
                     <array cmlx:templateRef="junk"
                            dataType="xsd:string"
                            dictRef="x:junk1"
                            size="3">RFO step: Lambda=-7.08234500D-09.</array>
                     <list cmlx:templateRef="iterationList">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
                        <array dataType="xsd:double" dictRef="g:rmscart" size="2">0.00035457 0.00000008</array>
                        <array dataType="xsd:double" dictRef="g:rmsint" size="2">0.00000007 0.00000006</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.deltas">
                     <list cmlx:templateRef="delta">
                        <array dataType="xsd:string" dictRef="cc:variable" size="304">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 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 A96 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 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157</array>
                        <array dataType="xsd:double" dictRef="g:lastval" size="304">3.51049 3.61665 3.62774 3.52643 3.47663 2.64196 2.58620 2.81063 2.52757 2.81166 2.53224 2.63934 2.58417 2.68915 2.64461 2.64393 2.63613 2.04204 2.63619 2.04213 2.65622 3.30046 3.30016 2.89723 2.91166 2.92005 2.34691 2.06271 2.06624 2.06730 2.06627 2.06019 2.06801 2.89819 2.34831 2.91409 2.91652 2.06640 2.06260 2.06812 2.06040 2.06626 2.06804 2.92921 2.35914 2.93392 2.35754 2.58124 2.64659 2.67935 1.85057 1.47293 2.65080 1.45219 1.52706 1.70909 2.71567 1.78425 1.45966 2.07614 1.71282 1.98393 2.06535 2.22289 2.01474 2.17990 2.08855 2.02407 2.17147 2.08370 1.98320 2.07853 2.22045 1.95575 2.22738 2.10005 1.95558 2.22825 2.09925 2.07453 2.10750 2.10114 2.07503 2.10751 2.10064 2.10860 2.06394 2.11065 2.10884 2.06366 2.11068 1.87458 1.94177 1.95185 1.88938 1.85610 1.94557 1.98317 2.17184 2.12726 1.92280 1.90813 1.93042 1.89771 1.90527 1.89904 1.90228 1.92590 1.92835 1.90272 1.89837 1.90582 1.98001 2.17578 2.12676 1.87186 1.94193 1.95214 1.88115 1.86572 1.94635 1.90597 1.92580 1.92990 1.89808 1.89834 1.90526 1.92586 1.90338 1.92864 1.90228 1.90547 1.89779 2.00483 2.22921 2.04766 2.01091 2.22671 2.04326 2.12060 1.88269 1.86241 1.88125 1.86086 1.83717 1.93544 1.79467 3.13639 -0.15236 1.45519 -1.83356 0.36235 -2.92640 -1.35690 1.63754 0.10494 -3.03636 2.75388 -0.38743 1.14731 -1.99399 -1.39957 1.74231 -1.20790 2.02996 -2.82987 0.40799 -0.11672 3.12114 1.55528 -1.49005 -0.35090 2.83525 -1.39715 1.78900 -3.05784 0.12831 1.15833 -1.93871 2.93751 -1.88466 -0.02889 1.49295 -0.30192 2.83743 3.00277 -0.14107 0.16210 -3.02462 3.13392 -0.05279 -0.04607 2.01873 -2.07619 3.09525 -1.12314 1.06513 -0.12939 3.07291 3.01250 -0.06839 0.08597 -1.96730 2.12624 3.13643 1.08316 -1.10648 0.09096 -3.12630 -2.95130 0.11463 0.26917 -2.85702 -2.92133 0.23567 -0.10942 3.07031 3.08345 -0.02001 0.01971 -3.13601 -3.11983 0.00765 3.13197 -0.00472 -0.01203 3.13446 3.12660 -0.01006 0.00154 -3.13511 0.00747 -3.13584 -3.13900 0.00088 -0.00617 3.14034 3.13050 -0.00617 0.00168 3.13822 -3.13815 -0.00161 -0.06787 3.11755 -2.16625 1.01917 2.02434 -1.07343 1.14188 -3.05687 -0.96609 -3.08544 -1.00100 1.08977 -1.04988 1.03456 3.12533 3.01525 -1.17909 0.93025 0.97396 3.06280 -1.11104 -1.08177 1.00708 3.11642 0.01094 2.10347 -2.08532 3.11560 -1.07505 1.01934 3.05392 -1.14388 0.96571 1.00628 3.09167 -1.08193 -1.03640 1.04898 -3.12461 1.17150 -3.02273 -0.93758 -3.06772 -0.97875 1.10640 -1.01570 1.07326 -3.12478 0.83508 3.01732 -1.29927 -2.36055 -0.17832 1.78829 -0.81431 -2.99721 1.32076 2.39461 0.21171 -1.75350 -1.48590</array>
                        <array dataType="xsd:double" dictRef="cc:deriv" size="304">-0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00002 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000</array>
                        <array dataType="xsd:double" dictRef="cc:delta.linear" size="304">-0.00001 -0.00005 0.00002 0.00006 -0.00002 0.00001 0.00004 0.00002 0.00002 -0.00000 -0.00000 -0.00004 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00002 -0.00001 -0.00000 0.00001 0.00002 -0.00004 -0.00002 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00002 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00000 -0.00004 0.00007 -0.00004 -0.00000 0.00001 -0.00001 -0.00002 -0.00002 -0.00001 -0.00002 0.00016 0.00001 0.00000 -0.00015 0.00000 -0.00001 -0.00001 -0.00000 0.00002 -0.00002 -0.00001 0.00000 0.00001 -0.00002 -0.00003 0.00006 -0.00002 0.00003 -0.00001 0.00002 -0.00002 -0.00000 0.00002 -0.00001 -0.00001 0.00001 -0.00002 0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00003 0.00004 -0.00005 0.00004 0.00001 -0.00001 -0.00001 0.00002 0.00000 0.00001 -0.00003 0.00000 0.00000 0.00001 -0.00002 0.00002 0.00001 0.00000 -0.00001 0.00000 0.00003 -0.00001 -0.00002 0.00000 -0.00004 0.00001 -0.00001 0.00001 0.00004 -0.00001 0.00001 -0.00005 0.00001 0.00002 0.00003 -0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00004 0.00005 -0.00001 -0.00000 -0.00007 -0.00001 -0.00003 0.00002 0.00007 -0.00007 0.00008 -0.00005 0.00009 -0.00005 0.00023 0.00010 0.00023 -0.00022 0.00022 -0.00023 0.00023 -0.00022 0.00027 -0.00018 0.00001 -0.00004 0.00002 -0.00003 -0.00001 -0.00005 -0.00017 -0.00021 -0.00008 -0.00003 -0.00008 -0.00004 -0.00007 -0.00002 -0.00008 -0.00003 0.00011 0.00011 0.00019 0.00013 -0.00008 -0.00010 0.00007 0.00005 -0.00011 -0.00010 -0.00026 -0.00025 -0.00032 -0.00041 -0.00039 0.00010 0.00002 0.00004 0.00035 0.00039 -0.00012 -0.00007 0.00003 0.00007 0.00004 0.00007 0.00011 0.00008 0.00011 0.00005 0.00006 0.00000 0.00005 0.00007 -0.00000 0.00002 0.00005 -0.00000 0.00010 0.00005 0.00001 -0.00000 0.00003 0.00001 0.00002 -0.00001 0.00000 -0.00002 -0.00004 -0.00002 -0.00002 -0.00000 -0.00001 -0.00003 0.00002 0.00000 0.00001 0.00003 -0.00000 0.00002 0.00000 -0.00002 0.00002 -0.00000 0.00027 0.00026 0.00034 0.00033 0.00034 0.00033 -0.00000 0.00001 0.00001 -0.00006 -0.00005 -0.00005 -0.00004 -0.00003 -0.00004 0.00000 0.00001 0.00003 -0.00004 -0.00003 -0.00001 0.00000 0.00000 0.00002 -0.00005 -0.00010 -0.00005 0.00000 -0.00005 -0.00001 0.00001 0.00002 0.00002 0.00004 0.00005 0.00005 0.00002 0.00002 0.00003 -0.00007 -0.00005 -0.00006 -0.00007 -0.00004 -0.00005 -0.00005 -0.00003 -0.00004 -0.00024 -0.00017 -0.00016 -0.00028 -0.00021 -0.00020 -0.00001 -0.00011 -0.00006 0.00005 -0.00005 -0.00000 0.00007</array>
                        <array dataType="xsd:double" dictRef="cc:delta.quad" size="304">-0.00002 0.00001 -0.00000 -0.00001 0.00004 0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00003 0.00001 0.00004 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00010 0.00000 0.00001 -0.00003 0.00006 -0.00002 0.00001 0.00009 -0.00004 0.00001 -0.00002 -0.00002 -0.00002 0.00003 -0.00001 -0.00002 0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00002 -0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00002 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00002 -0.00000 -0.00002 0.00000 0.00004 0.00002 -0.00000 -0.00002 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00002 0.00002 -0.00002 0.00000 0.00003 -0.00005 -0.00003 0.00004 -0.00000 0.00001 0.00002 -0.00001 0.00005 -0.00014 0.00011 -0.00008 -0.00001 -0.00020 0.00003 -0.00016 0.00019 -0.00004 0.00009 -0.00014 0.00013 -0.00010 0.00017 -0.00006 -0.00021 -0.00002 -0.00015 0.00005 -0.00009 0.00011 -0.00014 0.00006 0.00003 -0.00010 0.00009 -0.00003 0.00014 0.00002 0.00005 -0.00008 0.00003 0.00004 0.00003 0.00002 -0.00001 -0.00002 0.00020 0.00020 0.00006 0.00012 -0.00016 -0.00009 -0.00019 -0.00021 -0.00019 0.00003 0.00001 0.00003 0.00020 0.00018 -0.00004 -0.00006 0.00013 0.00017 0.00014 -0.00006 -0.00002 -0.00005 -0.00005 -0.00004 0.00016 0.00016 -0.00004 0.00000 0.00009 0.00014 0.00005 0.00008 -0.00009 -0.00006 0.00003 -0.00001 0.00004 -0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00003 -0.00003 0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00002 -0.00001 -0.00002 -0.00001 0.00001 -0.00000 0.00001 0.00000 0.00008 0.00002 0.00008 0.00002 0.00008 0.00002 0.00003 0.00003 0.00004 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00004 0.00005 0.00004 -0.00011 -0.00015 -0.00011 -0.00014 -0.00018 -0.00014 0.00011 0.00012 0.00010 0.00013 0.00014 0.00012 0.00011 0.00012 0.00011 -0.00001 -0.00000 -0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00018 -0.00015 -0.00017 -0.00016 -0.00013 -0.00015 0.00009 0.00009 0.00006 0.00008 0.00009 0.00006 0.00008</array>
                        <array dataType="xsd:double" dictRef="cc:delta.total" size="304">-0.00004 -0.00004 0.00002 0.00005 0.00003 0.00001 0.00005 0.00002 0.00001 0.00000 -0.00001 -0.00005 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00002 0.00000 0.00002 -0.00001 -0.00001 0.00002 0.00003 -0.00003 -0.00003 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00002 0.00000 -0.00004 0.00006 -0.00003 -0.00000 0.00002 -0.00011 -0.00002 -0.00001 -0.00004 0.00003 0.00015 0.00002 0.00010 -0.00019 0.00001 -0.00002 -0.00003 -0.00002 0.00005 -0.00003 -0.00002 0.00000 0.00001 -0.00001 -0.00003 0.00005 -0.00002 0.00004 -0.00001 0.00001 -0.00002 0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00002 0.00002 0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00002 0.00004 -0.00008 0.00004 0.00002 -0.00001 -0.00001 0.00002 0.00001 0.00001 -0.00003 0.00000 0.00000 0.00001 -0.00001 0.00002 0.00001 0.00000 -0.00001 0.00000 0.00003 -0.00000 -0.00002 0.00001 -0.00006 0.00000 -0.00003 0.00001 0.00008 0.00002 0.00001 -0.00006 0.00000 0.00002 0.00002 0.00001 0.00002 -0.00002 0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00001 -0.00001 -0.00000 0.00007 0.00000 -0.00004 0.00003 -0.00007 0.00000 -0.00001 0.00001 0.00012 -0.00021 0.00019 -0.00013 0.00008 -0.00025 0.00026 -0.00006 0.00042 -0.00026 0.00031 -0.00037 0.00036 -0.00032 0.00044 -0.00024 -0.00021 -0.00005 -0.00013 0.00002 -0.00010 0.00006 -0.00031 -0.00016 -0.00005 -0.00013 0.00001 -0.00007 0.00007 -0.00000 -0.00003 -0.00011 0.00014 0.00015 0.00022 0.00015 -0.00009 -0.00011 0.00027 0.00024 -0.00005 0.00003 -0.00042 -0.00035 -0.00051 -0.00061 -0.00058 0.00013 0.00003 0.00007 0.00055 0.00057 -0.00016 -0.00014 0.00016 0.00023 0.00018 0.00002 0.00009 0.00003 0.00006 0.00000 0.00022 0.00016 0.00001 0.00007 0.00009 0.00015 0.00010 0.00008 0.00001 -0.00001 0.00004 -0.00001 0.00006 0.00001 0.00002 0.00001 -0.00001 -0.00002 -0.00007 -0.00005 -0.00000 0.00001 -0.00000 -0.00002 0.00001 -0.00001 -0.00001 0.00002 -0.00002 0.00001 0.00001 -0.00002 0.00003 0.00000 0.00035 0.00028 0.00042 0.00035 0.00041 0.00035 0.00003 0.00004 0.00004 -0.00003 -0.00002 -0.00002 -0.00002 -0.00001 -0.00001 0.00003 0.00004 0.00005 -0.00001 -0.00001 0.00001 0.00005 0.00005 0.00007 -0.00016 -0.00025 -0.00017 -0.00014 -0.00023 -0.00015 0.00012 0.00014 0.00013 0.00017 0.00018 0.00017 0.00013 0.00015 0.00014 -0.00008 -0.00005 -0.00007 -0.00007 -0.00004 -0.00005 -0.00006 -0.00003 -0.00004 -0.00042 -0.00031 -0.00033 -0.00044 -0.00033 -0.00035 0.00008 -0.00001 0.00000 0.00013 0.00004 0.00006 0.00015</array>
                        <array dataType="xsd:double" dictRef="cc:newval" size="304">3.51046 3.61662 3.62777 3.52648 3.47666 2.64197 2.58625 2.81065 2.52758 2.81166 2.53223 2.63929 2.58415 2.68916 2.64462 2.64395 2.63612 2.04204 2.63618 2.04213 2.65624 3.30046 3.30015 2.89725 2.91168 2.92002 2.34688 2.06271 2.06623 2.06730 2.06627 2.06018 2.06802 2.89820 2.34832 2.91409 2.91650 2.06640 2.06260 2.06813 2.06040 2.06625 2.06804 2.92919 2.35914 2.93394 2.35754 2.58120 2.64665 2.67932 1.85057 1.47295 2.65069 1.45217 1.52705 1.70905 2.71571 1.78439 1.45968 2.07623 1.71263 1.98394 2.06533 2.22286 2.01472 2.17995 2.08852 2.02405 2.17147 2.08370 1.98319 2.07850 2.22050 1.95573 2.22742 2.10004 1.95560 2.22822 2.09926 2.07454 2.10751 2.10113 2.07503 2.10749 2.10066 2.10860 2.06394 2.11064 2.10883 2.06367 2.11067 1.87458 1.94175 1.95189 1.88931 1.85614 1.94560 1.98316 2.17183 2.12729 1.92281 1.90814 1.93040 1.89771 1.90527 1.89905 1.90227 1.92592 1.92836 1.90272 1.89836 1.90582 1.98003 2.17577 2.12673 1.87187 1.94187 1.95214 1.88111 1.86574 1.94643 1.90599 1.92580 1.92984 1.89809 1.89835 1.90528 1.92587 1.90340 1.92862 1.90229 1.90546 1.89779 2.00484 2.22922 2.04764 2.01093 2.22669 2.04326 2.12067 1.88270 1.86237 1.88128 1.86079 1.83717 1.93544 1.79467 3.13651 -0.15256 1.45538 -1.83369 0.36242 -2.92665 -1.35663 1.63748 0.10536 -3.03662 2.75419 -0.38780 1.14767 -1.99431 -1.39913 1.74207 -1.20811 2.02990 -2.83000 0.40801 -0.11682 3.12119 1.55497 -1.49021 -0.35095 2.83512 -1.39715 1.78893 -3.05776 0.12831 1.15830 -1.93882 2.93765 -1.88451 -0.02867 1.49311 -0.30201 2.83731 3.00304 -0.14083 0.16205 -3.02459 3.13350 -0.05314 -0.04658 2.01811 -2.07676 3.09538 -1.12311 1.06520 -0.12885 3.07348 3.01234 -0.06852 0.08613 -1.96707 2.12642 3.13645 1.08325 -1.10645 0.09102 -3.12630 -2.95108 0.11479 0.26918 -2.85695 -2.92123 0.23582 -0.10932 3.07039 3.08346 -0.02002 0.01975 -3.13602 -3.11976 0.00766 3.13199 -0.00472 -0.01204 3.13444 3.12653 -0.01011 0.00154 -3.13511 0.00747 -3.13586 -3.13899 0.00087 -0.00617 3.14037 3.13049 -0.00616 0.00169 3.13820 -3.13812 -0.00161 -0.06752 3.11783 -2.16583 1.01952 2.02476 -1.07308 1.14191 -3.05682 -0.96605 -3.08547 -1.00102 1.08975 -1.04990 1.03455 3.12532 3.01528 -1.17905 0.93030 0.97395 3.06280 -1.11103 -1.08172 1.00713 3.11649 0.01078 2.10322 -2.08549 3.11546 -1.07528 1.01919 3.05404 -1.14374 0.96584 1.00645 3.09185 -1.08175 -1.03627 1.04913 -3.12447 1.17141 -3.02278 -0.93764 -3.06778 -0.97879 1.10635 -1.01576 1.07323 -3.12482 0.83466 3.01700 -1.29959 -2.36099 -0.17865 1.78794 -0.81424 -2.99723 1.32077 2.39474 0.21175 -1.75344 -1.48575</array>
                     </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>
                        <array dataType="xsd:double" dictRef="g:value" size="4">0.000018 0.000003 0.001707 0.000355</array>
                        <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 YES YES</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="preddelta">
                     <list cmlx:templateRef="predicted">
                        <scalar dataType="xsd:double" dictRef="g:predchange">-2.050023e-08</scalar>
                     </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="51">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="51">1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 7 8 8 9 9 10 10 12 14 14 14 15 17 17 17 21 21 21 25 25 26 26 28 28 28 32 32 32 36 36 37 37 38 38 43 46</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="51">2 3 4 5 43 6 15 14 36 26 37 7 25 7 8 9 10 11 12 13 12 44 45 15 17 21 16 18 19 20 22 23 24 26 27 28 32 29 30 31 33 34 35 38 39 38 40 41 42 46 47</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="51">1.8577 1.9139 1.9197 1.8661 1.8398 1.3981 1.3686 1.4873 1.3375 1.4879 1.34 1.3967 1.3675 1.423 1.3995 1.3991 1.395 1.0806 1.395 1.0806 1.4056 1.7465 1.7464 1.5332 1.5408 1.5452 1.2419 1.0915 1.0934 1.094 1.0934 1.0902 1.0943 1.5337 1.2427 1.5421 1.5434 1.0935 1.0915 1.0944 1.0903 1.0934 1.0944 1.5501 1.2484 1.5526 1.2476 1.3659 1.4005 1.4179 0.9793</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="51">-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>
                     <list cmlx:templateRef="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="96">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 A96</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="96">2 2 2 2 3 3 3 4 4 5 1 1 6 1 1 14 1 1 26 1 1 7 2 2 7 5 5 6 6 6 10 7 7 12 8 8 12 9 9 10 3 3 3 15 15 17 2 2 14 14 14 14 18 18 19 14 14 14 22 22 23 5 5 26 4 4 4 25 25 28 26 26 26 29 29 30 26 26 26 33 33 34 3 3 38 4 4 38 36 36 36 37 37 41 1 43</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="96">1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 12 12 12 14 14 14 14 14 14 15 15 15 17 17 17 17 17 17 21 21 21 21 21 21 25 25 25 26 26 26 26 26 26 28 28 28 28 28 28 32 32 32 32 32 32 36 36 36 37 37 37 38 38 38 38 38 38 43 46</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="96">3 4 5 43 4 5 43 5 43 43 6 15 15 14 36 36 26 37 37 7 25 25 7 8 8 6 9 9 10 11 11 12 13 13 12 44 44 10 45 45 15 17 21 17 21 21 14 16 16 18 19 20 19 20 20 22 23 24 23 24 24 26 27 27 25 28 32 28 32 32 29 30 31 30 31 31 33 34 35 34 35 35 38 39 39 38 40 40 37 41 42 41 42 42 46 47</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="96">84.3929 151.8798 83.2043 87.4939 97.9238 155.5966 102.2299 83.6324 118.9538 98.1374 113.6709 118.336 127.3624 115.436 124.8989 119.6651 115.9709 124.4161 119.3869 113.6291 119.0912 127.2225 112.0562 127.6194 120.3243 112.0467 127.6691 120.2784 118.8619 120.751 120.3865 118.8906 120.7513 120.3575 120.8138 118.2549 120.9313 120.8275 118.2389 120.933 107.4055 111.2554 111.8326 108.2536 106.3467 111.4732 113.6274 124.4374 121.8833 110.1682 109.328 110.6051 108.7306 109.1639 108.8071 108.9929 110.346 110.4863 109.0177 108.7687 109.1953 113.4459 124.6628 121.8543 107.2497 111.2643 111.8495 107.7817 106.8982 111.5178 109.204 110.3399 110.5752 108.7522 108.7666 109.1634 110.3438 109.0557 110.5029 108.9924 109.1755 108.7356 114.8682 127.7245 117.322 115.2168 127.5809 117.0702 121.5015 107.8704 106.708 107.7877 106.6195 105.2622 110.8927 102.8268</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="96">-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 =    0.0|-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="156">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 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="156">3 3 4 4 5 5 43 43 2 2 4 4 5 5 43 43 2 2 3 3 5 5 43 43 2 2 3 3 4 4 43 43 2 3 4 5 1 1 15 15 1 1 6 6 1 1 1 36 36 36 1 1 14 14 1 1 1 37 37 37 1 1 26 26 1 1 25 25 1 1 7 7 2 2 8 8 2 2 7 7 5 5 6 6 6 6 11 11 7 7 13 13 8 8 44 44 3 3 17 17 21 21 3 3 3 15 15 15 21 21 21 3 3 3 15 15 15 17 17 17 5 5 5 27 27 27 4 4 4 25 25 25 32 32 32 4 4 4 25 25 25 28 28 28 3 3 3 39 39 39 4 4 4 40 40 40</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="156">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 25 25 25 25 25 25 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 36 36 36 36 36 36 37 37 37 37 37 37</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="156">2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 43 43 43 43 6 6 6 6 15 15 15 15 14 14 14 14 14 14 36 36 36 36 26 26 26 26 26 26 37 37 37 37 7 7 7 7 25 25 25 25 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 12 12 12 12 12 12 12 12 15 15 15 15 15 15 17 17 17 17 17 17 17 17 17 21 21 21 21 21 21 21 21 21 26 26 26 26 26 26 28 28 28 28 28 28 28 28 28 32 32 32 32 32 32 32 32 32 38 38 38 38 38 38 38 38 38 38 38 38</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="156">6 15 6 15 6 15 6 15 14 36 14 36 14 36 14 36 26 37 26 37 26 37 26 37 7 25 7 25 7 25 7 25 46 46 46 46 7 8 7 8 14 16 14 16 15 17 21 15 17 21 38 39 38 39 25 28 32 25 28 32 38 40 38 40 6 9 6 9 26 27 26 27 5 9 5 9 10 11 10 11 12 13 12 13 12 44 12 44 10 45 10 45 9 45 9 45 2 16 2 16 2 16 18 19 20 18 19 20 18 19 20 22 23 24 22 23 24 22 23 24 4 28 32 4 28 32 29 30 31 29 30 31 29 30 31 33 34 35 33 34 35 33 34 35 37 41 42 37 41 42 36 41 42 36 41 42</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="156">179.702 -8.7295 83.3761 -105.0554 20.7609 -167.6705 -77.7444 93.8242 6.0128 -173.9707 157.7856 -22.1979 65.7362 -114.2473 -80.1894 99.8272 -69.2077 116.308 -162.1397 23.376 -6.6877 178.8279 89.1108 -85.3736 -20.1054 162.4476 -80.051 102.5019 -175.2011 7.3518 66.3674 -111.0797 168.3069 -107.9829 -1.6554 85.54 -17.2988 162.5725 172.046 -8.0827 9.2874 -173.2977 179.5602 -3.0249 -2.6398 115.6646 -118.9568 177.3446 -64.351 61.0275 -7.4137 176.0646 172.6035 -3.9182 4.9255 -112.7182 121.8247 179.7042 62.0605 -63.3966 5.2116 -179.124 -169.0969 6.5676 15.4221 -163.6953 -167.3797 13.503 -6.2691 175.916 176.6685 -1.1465 1.129 -179.68 -178.7529 0.4381 179.4488 -0.2707 -0.6894 179.5911 179.1409 -0.5761 0.0882 -179.6288 0.4281 -179.6701 -179.8513 0.0504 -0.3535 179.9284 179.3647 -0.3534 0.0963 179.8068 -179.8028 -0.0923 -3.8886 178.6223 -124.1169 58.394 115.9863 -61.5028 65.4248 -175.1455 -55.3531 -176.7828 -57.3531 62.4393 -60.154 59.2757 179.0681 172.7611 -67.5569 53.2995 55.8037 175.4857 -63.6579 -61.9806 57.7014 178.5578 0.6265 120.5198 -119.4801 178.5107 -61.5961 58.4041 174.9768 -65.5394 55.3312 57.6558 177.1396 -61.9898 -59.3815 60.1023 -179.0271 67.1217 -173.1894 -53.7192 -175.7673 -56.0784 63.3918 -58.1956 61.4933 -179.0365 47.8465 172.8795 -74.4425 -135.2497 -10.2167 102.4613 -46.6567 -171.7276 75.6742 137.2011 12.1302 -100.468</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="g:deriv"
                               size="156">-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 =    0.0|-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 =    0.0|-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>
                  <module cmlx:templateRef="l103.catchall">
                     <list cmlx:templateRef="l103.discard">
                        <scalar dataType="xsd:string" dictRef="x:discard"/>
                     </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="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="1">1</array>
                        <scalar dataType="xsd:string" dictRef="cc:basis">lanl2dz</scalar>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">F</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.0</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">2.4620000000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                     </module>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="17">6 7 8 9 10 12 14 15 17 21 25 26 28 32 36 37 38</array>
                        <scalar dataType="xsd:string" dictRef="cc:basis">6-31g(d)</scalar>
                     </module>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="15">11 13 18 19 20 22 23 24 29 30 31 33 34 35 47</array>
                        <scalar dataType="xsd:string" dictRef="cc:basis">6-31g(d,p)</scalar>
                     </module>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">2 3 4 5</array>
                        <scalar dataType="xsd:string" dictRef="cc:basis">6-31+g(d)</scalar>
                     </module>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="6">16 27 39 40 43 46</array>
                        <scalar dataType="xsd:string" dictRef="cc:basis">6-31+g(d)</scalar>
                     </module>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">44 45</array>
                        <scalar dataType="xsd:string" dictRef="cc:basis">6-31+g(d)</scalar>
                     </module>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">41 42</array>
                        <scalar dataType="xsd:string" dictRef="cc:basis">6-31+g(d)</scalar>
                     </module>
                     <module cmlx:templateRef="pseudopot">
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">26</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:valelectrons">16</scalar>
                           <module cmlx:templateRef="header">
                              <module cmlx:templateRef="params">
                                 <scalar dataType="xsd:string" dictRef="cc:angmomentum">D and up</scalar>
                                 <array dataType="xsd:integer" dictRef="g:powerofr" size="3">1 2 2</array>
                                 <array dataType="xsd:double" dictRef="cc:basisexponent" size="3">392.6149787 71.1756979 17.7320281</array>
                                 <array dataType="xsd:double" dictRef="cc:expcoeff" size="3">-10.00000000 -63.26675180 -10.96133380</array>
                                 <array dataType="xsd:double" dictRef="g:socoeff" size="3">0.00000000 0.00000000 0.00000000</array>
                              </module>
                              <module cmlx:templateRef="params">
                                 <scalar dataType="xsd:string" dictRef="cc:angmomentum">S - D</scalar>
                                 <array dataType="xsd:integer" dictRef="g:powerofr" size="5">0 1 2 2 2</array>
                                 <array dataType="xsd:double" dictRef="cc:basisexponent" size="5">126.0571895 138.1264251 54.2098858 9.2837966 8.6289082</array>
                                 <array dataType="xsd:double" dictRef="cc:expcoeff" size="5">3.00000000 18.17291370 339.12311640 317.10680120 -207.34216490</array>
                                 <array dataType="xsd:double" dictRef="g:socoeff" size="5">0.00000000 0.00000000 0.00000000 0.00000000 0.00000000</array>
                              </module>
                              <module cmlx:templateRef="params">
                                 <scalar dataType="xsd:string" dictRef="cc:angmomentum">P - D</scalar>
                                 <array dataType="xsd:integer" dictRef="g:powerofr" size="5">0 1 2 2 2</array>
                                 <array dataType="xsd:double" dictRef="cc:basisexponent" size="5">83.1759490 106.0559938 42.8284937 8.7701805 8.0397818</array>
                                 <array dataType="xsd:double" dictRef="cc:expcoeff" size="5">5.00000000 5.95359300 294.26655270 154.42446350 -95.31642490</array>
                                 <array dataType="xsd:double" dictRef="g:socoeff" size="5">0.00000000 0.00000000 0.00000000 0.00000000 0.00000000</array>
                              </module>
                           </module>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">2</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">3</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">4</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">5</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">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">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">8</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">9</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">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">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">13</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">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">8</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">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">22</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">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">8</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">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">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">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">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">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">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">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">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">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">37</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">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">8</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">8</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">9</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">9</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">8</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">17</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">17</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">8</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">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                     </module>
                     <module cmlx:templateRef="ernie">
                        <scalar dataType="xsd:double" dictRef="g:thresh">0.10000e-02</scalar>
                        <scalar dataType="xsd:double" dictRef="g:tol">0.10000e-05</scalar>
                        <scalar dataType="xsd:string" dictRef="g:strict">F</scalar>
                     </module>
                     <module cmlx:templateRef="erniedeleted">
                        <list cmlx:templateRef="deleted">
                           <list>
                              <scalar dataType="xsd:integer" dictRef="g:erniedeleted">1</scalar>
                              <scalar dataType="xsd:integer" dictRef="g:ernietotal">461</scalar>
                           </list>
                        </list>
                     </module>
                     <scalar dataType="xsd:string" dictRef="g:misc">IExCor= 2523 DFT=T Ex+Corr=TPSSh ExCW=0 ScaHFX=  0.100000</scalar>
                     <scalar dataType="xsd:string" dictRef="g:misc">ScaDFX=  0.900000  0.900000  1.000000  1.000000 ScalE2=  1.000000  1.000000</scalar>
                     <scalar dataType="xsd:string" dictRef="g:misc">IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4</scalar>
                     <module cmlx:templateRef="natoms">
                        <list cmlx:templateRef="natoms">
                           <list>
                              <scalar dataType="xsd:integer" dictRef="cc:natoms">47</scalar>
                              <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">47</scalar>
                              <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">47</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 cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="-1"
                               id="mol.l202.orient"
                               spinMultiplicity="3">
                        <atomArray>
                           <atom elementType="Fe"
                                 id="a1"
                                 x3="0.765964"
                                 y3="0.036188"
                                 z3="0.200927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a2"
                                 x3="-0.586854"
                                 y3="1.293233"
                                 z3="-0.046397">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a3"
                                 x3="1.925743"
                                 y3="1.524002"
                                 z3="-0.131344">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a4"
                                 x3="1.939706"
                                 y3="-1.403065"
                                 z3="-0.23557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a5"
                                 x3="-0.571452"
                                 y3="-1.195332"
                                 z3="-0.144509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-1.86704"
                                 y3="0.754535"
                                 z3="-0.018875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-1.856884"
                                 y3="-0.674444"
                                 z3="-0.064696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="-3.086318"
                                 y3="1.447926"
                                 z3="0.002982">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-3.066697"
                                 y3="-1.385688"
                                 z3="-0.073944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="-4.276367"
                                 y3="0.726414"
                                 z3="0.006632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a11"
                                 x3="-3.101619"
                                 y3="2.527843"
                                 z3="0.037386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="-4.266336"
                                 y3="-0.682007"
                                 z3="-0.030453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="-3.067137"
                                 y3="-2.465843"
                                 z3="-0.10042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="1.266192"
                                 y3="2.833088"
                                 z3="-0.382218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="-0.247371"
                                 y3="2.60254"
                                 z3="-0.275069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.061296"
                                 y3="3.529438"
                                 z3="-0.413492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a17"
                                 x3="1.67379"
                                 y3="3.883047"
                                 z3="0.668302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="2.735967"
                                 y3="4.116741"
                                 z3="0.576563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="1.098726"
                                 y3="4.798945"
                                 z3="0.506511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="1.473808"
                                 y3="3.516114"
                                 z3="1.679506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a21"
                                 x3="1.531749"
                                 y3="3.341973"
                                 z3="-1.816315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="0.945191"
                                 y3="4.248112"
                                 z3="-1.991078">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="2.589434"
                                 y3="3.574876"
                                 z3="-1.944925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="1.239242"
                                 y3="2.58615"
                                 z3="-2.551893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a25"
                                 x3="-0.219305"
                                 y3="-2.495008"
                                 z3="-0.416789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a26"
                                 x3="1.293306"
                                 y3="-2.697414"
                                 z3="-0.58176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-1.024936"
                                 y3="-3.426124"
                                 z3="-0.565077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a28"
                                 x3="1.746751"
                                 y3="-3.842361"
                                 z3="0.342558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="1.147821"
                                 y3="-4.732325"
                                 z3="0.130347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="2.796839"
                                 y3="-4.07875"
                                 z3="0.164452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="1.613409"
                                 y3="-3.569481"
                                 z3="1.392409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a32"
                                 x3="1.519924"
                                 y3="-3.06533"
                                 z3="-2.065902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="2.579631"
                                 y3="-3.250765"
                                 z3="-2.247195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="0.956793"
                                 y3="-3.97231"
                                 z3="-2.302957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="1.17932"
                                 y3="-2.257346"
                                 z3="-2.720602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a36"
                                 x3="3.256755"
                                 y3="1.425499"
                                 z3="-0.189576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a37"
                                 x3="3.268371"
                                 y3="-1.286265"
                                 z3="-0.283914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a38"
                                 x3="3.830996"
                                 y3="0.054532"
                                 z3="0.267918">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a39"
                                 x3="4.079485"
                                 y3="2.313665"
                                 z3="-0.500798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a40"
                                 x3="4.099871"
                                 y3="-2.142985"
                                 z3="-0.658449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="F"
                                 id="a41"
                                 x3="5.177004"
                                 y3="0.06886"
                                 z3="0.032088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="F"
                                 id="a42"
                                 x3="3.705344"
                                 y3="0.00798"
                                 z3="1.662851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a43"
                                 x3="0.685649"
                                 y3="-0.036807"
                                 z3="1.901903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a44"
                                 x3="-5.781068"
                                 y3="1.609895"
                                 z3="0.077489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a45"
                                 x3="-5.75876"
                                 y3="-1.588883"
                                 z3="-0.009454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a46"
                                 x3="0.701373"
                                 y3="-1.364928"
                                 z3="2.456152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a47"
                                 x3="0.333212"
                                 y3="-1.187805"
                                 z3="3.346301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a15" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a36" order="S"/>
                           <bond atomRefs2="a4 a26" order="S"/>
                           <bond atomRefs2="a4 a37" order="S"/>
                           <bond atomRefs2="a5 a7" order="S"/>
                           <bond atomRefs2="a5 a25" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a11" order="S"/>
                           <bond atomRefs2="a9 a12" order="S"/>
                           <bond atomRefs2="a9 a13" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a10 a12" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a14 a21" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a14 a15" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a17 a20" order="S"/>
                           <bond atomRefs2="a17 a19" order="S"/>
                           <bond atomRefs2="a17 a18" order="S"/>
                           <bond atomRefs2="a21 a24" order="S"/>
                           <bond atomRefs2="a21 a22" order="S"/>
                           <bond atomRefs2="a21 a23" order="S"/>
                           <bond atomRefs2="a25 a26" order="S"/>
                           <bond atomRefs2="a25 a27" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a31" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                           <bond atomRefs2="a32 a35" order="S"/>
                           <bond atomRefs2="a32 a34" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                           <bond atomRefs2="a36 a38" order="S"/>
                           <bond atomRefs2="a36 a39" order="S"/>
                           <bond atomRefs2="a37 a38" order="S"/>
                           <bond atomRefs2="a37 a40" order="S"/>
                           <bond atomRefs2="a38 a42" order="S"/>
                           <bond atomRefs2="a38 a41" order="S"/>
                           <bond atomRefs2="a43 a46" order="S"/>
                           <bond atomRefs2="a46 a47" order="S"/>
                        </bondArray>
                        <formula concise="C 17 H 15 Cl 2 F 2 Fe 1 N 4 O 6"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">520.9529063999997</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C17H14Cl2F2N4O4.Fe.H2O2/c1-15(2)11(26)22-9-5-7(18)8(19)6-10(9)23-12(27)16(3,4)25-14(29)17(20,21)13(28)24-15;;1-2/h5-6H,1-4H3;;1-2H/q-4;+5;/p-1">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:17,21,28,32,8,9,10,12,6,7,15,25,36,37,14,26,38,44,45,41,42,2,5,3,4,16,27,39,40;1;43,46/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29);;(1,2)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,22-1,23-1,24-1,25-1,26.1,27.1,28.1,29.1;;/rA:47FeNNNNC3C3C3C3C3HC3HCC3O1CHHHCHHHC3CO1CHHHCHHHC3C3CO1O1FFOClClOH/rB:s1;s1;s1;s1;s2;s5s6;s6;s7;s8;s8;s9s10;s9;s3;s2s14;s15;s14;s17;s17;s17;s14;s21;s21;s21;s5;s4s25;s25;s26;s28;s28;s28;s26;s32;s32;s32;s3;s4;s36s37;s36;s37;s38;s38;s1;s10;s12;s43;s46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="1128">0.000000 1.863182 0.000000 1.915485 2.524602 0.000000 1.907786 3.699907 2.928955 0.000000 1.850581 2.490546 3.692009 2.521380 0.000000 2.738073 1.389183 3.871683 4.381040 2.344422 0.000000 2.730364 2.342021 4.375600 3.869649 1.389255 1.429750 0.000000 4.107586 2.504733 5.014438 5.783249 3.651454 1.402821 2.453679 0.000000 4.097142 3.650616 5.778758 5.009041 2.503490 2.454132 1.403425 2.834726 0.000000 5.093060 3.733176 6.254706 6.575173 4.176404 2.409626 2.796675 1.391693 2.435317 0.000000 4.603617 2.802735 5.129380 6.398555 4.505204 2.161474 3.437212 1.080573 3.915270 2.150843 0.000000 5.088554 4.176172 6.574078 6.251156 3.732115 2.796499 2.409707 2.435195 1.391471 1.408945 3.415305 0.000000 4.587334 4.503929 6.391296 5.120180 2.800819 3.437691 2.162198 3.915182 1.080480 3.415289 4.995706 2.150592 0.000000 2.900506 2.432634 1.487162 4.291867 4.434141 3.777505 4.707144 4.583819 6.055331 5.942158 4.398524 6.564183 6.850972 0.000000 2.799925 1.371796 2.430293 4.563961 3.813910 2.470645 3.656968 3.077347 4.888253 4.453315 2.872271 5.196168 5.802593 1.534766 0.000000 3.989885 2.315268 3.608848 5.776440 4.757704 2.916339 4.292696 2.933745 5.319341 4.286039 2.317197 5.306154 6.329677 2.429626 1.241279 0.000000 3.980064 3.511188 2.503599 5.369420 5.611747 4.774649 5.811512 5.388051 7.126199 6.768050 5.003915 7.524166 7.960887 1.540176 2.494094 2.962434 0.000000 4.546749 4.404704 2.807114 5.635765 6.298975 5.731200 6.667904 6.430441 8.023141 7.809735 6.073938 8.510505 8.801405 2.174227 3.452302 3.967914 1.091443 0.000000 4.784137 3.928983 3.437451 6.302607 6.256571 5.042723 6.246591 5.384929 7.479128 6.762175 4.798008 7.688502 8.396423 2.163903 2.692033 2.669035 1.093501 1.775068 0.000000 3.846703 3.488018 2.729823 5.299330 5.450490 4.655328 5.629967 5.280425 6.907853 6.606470 4.960622 7.314194 7.718298 2.181819 2.759971 3.287487 1.094151 1.780528 1.778274 0.000000 3.947646 3.437793 2.509856 5.018024 5.273095 4.634371 5.539188 5.312607 6.821462 6.625594 5.056393 7.280076 7.604260 1.544707 2.467280 2.954139 2.546813 2.788597 2.775932 3.500635 0.000000 4.751559 3.854900 3.441056 6.000556 5.944839 4.899317 5.982820 5.298149 7.177071 6.607410 4.842588 7.437079 8.046773 2.166510 2.659849 2.651652 2.781444 3.133196 2.562214 3.780006 1.093472 0.000000 4.522393 4.347311 2.817028 5.303201 5.998965 5.614637 6.431308 6.366508 7.752392 7.685150 6.116692 8.293843 8.478755 2.177905 3.432393 3.959189 2.786096 2.583213 3.119310 3.792700 1.090634 1.777333 0.000000 3.782105 3.359133 2.731025 4.665816 4.834637 4.406811 5.138445 5.151059 6.360569 6.358192 5.054784 6.881126 7.076528 2.183849 2.719230 3.279486 3.498633 3.790796 3.777571 4.338732 1.094488 1.778510 1.780171 0.000000 2.785549 3.824010 4.564554 2.426213 1.373791 3.665092 2.473881 4.893128 3.075024 5.197749 5.808876 4.451369 2.865499 5.531411 5.099595 6.083002 6.740980 7.309966 7.469367 6.587463 6.252616 7.021688 6.860591 5.701245 0.000000 2.891932 4.443746 4.292226 1.487622 2.434083 4.713871 3.779346 6.058620 4.581280 6.564302 6.855802 5.939312 4.393037 5.534167 5.527862 6.659291 6.708941 7.060856 7.577440 6.614668 6.168888 7.095611 6.548266 5.639184 1.534984 0.000000 3.972617 4.767942 5.779133 3.604226 2.314942 4.299463 2.917921 5.322438 2.928033 5.304925 6.334453 4.280499 2.304047 6.667866 6.085516 6.957309 7.888493 8.505442 8.562126 7.712104 7.342300 8.050390 7.998853 6.724684 1.240164 2.430132 0.000000 4.003142 5.654319 5.390220 2.514285 3.552191 5.858462 4.815365 7.173633 5.420147 7.567331 8.011200 6.803248 5.026385 6.731854 6.774565 7.924655 7.732617 8.023753 8.667121 7.483922 7.504773 8.458375 7.807567 7.068321 2.501468 1.539766 2.946066 0.000000 4.784299 6.272773 6.309934 3.441649 3.942305 6.262371 5.052988 7.492640 5.385525 7.696425 8.412872 6.763433 4.791249 7.583680 7.477377 8.569287 8.648160 9.001516 9.538816 8.398983 8.314516 9.229829 8.683006 7.795053 2.678428 2.160816 2.628811 1.093520 0.000000 4.588954 6.352325 5.677775 2.837954 4.444653 6.719079 5.770524 8.073522 6.456816 8.552470 8.857484 7.839917 6.087515 7.100369 7.355272 8.550073 8.056384 8.206072 9.045113 7.856702 7.784023 8.798383 7.941692 7.363799 3.455894 2.173829 3.945136 1.091002 1.774143 0.000000 3.890841 5.527866 5.325687 2.729495 3.573838 5.727335 4.748403 7.013723 5.368662 7.420549 7.825914 6.703241 5.035282 6.653026 6.658591 7.798075 7.487867 7.810490 8.430911 7.092783 7.620418 8.544546 7.945581 7.320472 2.790435 2.181813 3.288338 1.092900 1.778139 1.779815 0.000000 3.914893 5.245378 4.996916 2.507879 3.400367 5.500292 4.596085 6.772535 5.275053 7.229779 7.554208 6.580584 5.026294 6.139259 6.201223 7.272147 7.468567 7.748776 8.285019 7.572689 6.412173 7.336372 6.726873 5.679278 2.463688 1.545767 2.976401 2.540848 2.782237 2.762609 3.496115 0.000000 4.481824 5.959703 5.263344 2.805376 4.309921 6.385978 5.575249 7.697011 6.331078 8.240291 8.419514 7.640663 6.091858 6.497425 6.792820 7.911382 7.759636 7.891653 8.635613 7.901422 6.689388 7.679202 6.832338 5.996587 3.428644 2.175891 3.981605 2.783971 3.146078 2.559058 3.779138 1.090978 0.000000 4.730106 5.933031 5.988674 3.441108 3.834845 5.961051 4.878782 7.144443 5.277081 7.402579 8.012484 6.578103 4.828315 7.078023 6.985055 7.994935 8.429063 8.768685 9.211307 8.497283 7.352967 8.226344 7.730053 6.569258 2.668943 2.168207 2.691802 2.763995 2.556381 3.079806 3.774804 1.093583 1.776890 0.000000 3.737177 4.783028 4.643274 2.735574 3.290795 5.064688 4.333353 6.272369 5.078705 6.790077 6.987916 6.274852 4.994119 5.602509 5.624462 6.620422 7.030903 7.343258 7.759639 7.265020 5.682809 6.550420 6.050199 4.846804 2.705585 2.186618 3.297131 3.495311 3.775503 3.775899 4.339008 1.094295 1.780973 1.779058 0.000000 2.878666 3.848548 1.335922 3.120498 4.639607 5.170358 5.529436 6.346035 6.921141 7.568034 6.457213 7.814333 7.425773 2.445559 3.697517 4.808561 3.046519 2.846221 4.064697 3.323107 3.048737 4.068892 2.854188 3.316325 5.244520 4.583378 6.481676 5.505781 6.516805 5.534764 5.491183 5.167662 5.153614 6.236389 4.927999 0.000000 2.871584 4.644673 3.118257 1.334665 3.843429 5.532410 5.166297 6.923885 6.339326 7.813985 7.431516 7.563146 6.446994 4.581207 5.242454 6.477175 5.492831 5.496940 6.508603 5.489838 5.175393 6.240265 5.181757 4.925108 3.693589 2.445595 4.805261 3.039971 4.067392 2.867289 3.280554 3.065554 2.861485 4.078574 3.353294 2.713429 0.000000 3.065819 4.598975 2.439004 2.440301 4.594976 5.748032 5.744042 7.061230 7.054734 8.139351 7.364208 8.136234 7.353380 3.836831 4.839448 6.039355 4.412638 4.218518 5.480117 4.419442 4.520822 5.569295 4.339467 4.591036 4.834658 3.838623 6.032323 4.419890 5.489294 4.261949 4.394956 4.530045 4.337822 5.575473 4.615996 1.555186 1.555250 0.000000 4.081512 4.798175 2.323503 4.296869 5.837055 6.166384 6.660290 7.235470 8.058246 8.520394 7.204427 8.879640 8.606870 2.863299 4.342359 5.283309 3.101149 2.493357 4.009515 3.604048 3.046139 3.973263 2.428252 3.514003 6.450581 5.734131 7.681434 6.636984 7.657609 6.553679 6.654109 6.159098 6.021822 7.246548 5.850866 1.250033 3.696544 2.399240 0.000000 4.074587 5.843594 4.295517 2.322202 4.794105 6.663986 6.163772 8.060611 7.230134 8.879028 8.611752 8.516000 7.195946 5.733005 6.447131 7.672942 6.630173 6.524543 7.652084 6.662405 6.166090 7.250795 6.052303 5.842349 4.340231 2.861832 5.283825 3.070353 4.005182 2.474317 3.524685 3.080223 2.462198 3.991212 3.577034 3.696588 1.251255 2.399902 4.459484 0.000000 4.414391 5.892988 3.565788 3.566273 5.888473 7.077521 7.073715 8.377658 8.371712 9.476247 8.636100 9.473351 8.626015 4.806980 5.994808 7.147764 5.217787 4.758199 6.263476 5.320828 5.236196 6.282324 4.785002 5.340382 5.991249 4.807514 7.143919 5.211591 6.268600 4.783866 5.271357 5.253470 4.791804 6.292350 5.382380 2.361559 2.362012 1.366586 2.554930 2.555252 0.000000 3.282982 4.795453 2.946937 2.951699 4.796404 5.868306 5.864171 7.138297 7.128766 8.183332 7.438185 8.178694 7.422629 4.255938 5.109915 6.279548 4.486924 4.359086 5.575386 4.157768 5.286267 6.240862 5.194617 5.522018 5.098306 4.263257 6.255580 4.517121 5.599999 4.446565 4.153018 5.303291 5.212975 6.254988 5.543208 2.375306 2.378216 1.401354 3.183951 3.189159 2.197471 0.000000 1.704435 2.680325 2.847464 2.829861 2.666512 3.291175 3.276975 4.476390 4.450118 5.366205 4.939357 5.354665 4.898256 3.713561 3.546250 4.596844 4.226517 4.817914 5.049975 3.646080 5.094819 5.795101 5.609522 5.198333 3.498289 3.690076 4.527644 4.247321 5.039832 4.879873 3.687832 5.060775 5.579580 5.765635 5.151898 3.622597 3.606854 3.545625 4.776590 4.759023 4.866173 3.029473 0.000000 6.734643 5.205332 7.710118 8.293750 5.921037 4.007561 4.542867 2.700641 4.045276 1.746335 2.832611 2.749342 4.899869 7.167385 5.633067 5.118785 7.816085 8.892313 7.595108 7.670290 7.750089 7.515432 8.832701 7.559860 6.930205 8.308687 6.956664 9.298678 9.393405 10.293140 9.123225 8.930640 9.946429 9.067872 8.439897 9.043648 9.508454 9.738952 9.902536 10.595219 11.065993 9.750462 6.917987 0.000000 6.727343 5.920859 8.291954 7.704027 5.203968 4.542816 4.007978 4.045282 2.700491 2.749245 4.900003 1.746481 2.832343 8.309196 6.929213 6.958924 9.254414 10.249778 9.385930 9.012415 8.984966 9.107157 10.005139 8.536213 5.627837 7.161565 5.108156 7.844410 7.589574 8.912236 7.761241 7.706368 8.791934 7.485956 7.478912 9.507810 9.036371 9.733507 10.595394 9.895495 11.060776 9.742476 6.898741 3.200037 0.000000 2.655812 3.871447 4.066956 2.963155 2.900394 4.149051 3.657338 5.317593 4.538741 5.928892 5.955405 5.597117 4.685055 5.098892 4.909225 5.941101 5.628787 6.141752 6.477061 5.002440 6.410805 7.165439 6.880110 6.401628 3.221571 3.369690 4.044317 3.420200 4.116801 4.124039 2.612166 4.900037 5.404231 5.432568 5.274810 4.616962 3.755480 4.074037 5.804071 4.675029 5.288015 3.396770 1.439217 7.518620 6.918286 0.000000 3.402765 4.302612 4.688717 3.931534 3.606138 4.465222 4.085947 5.460590 4.826657 6.005484 6.045910 5.728363 5.007558 5.562363 5.274288 6.191371 5.889174 6.448480 6.670202 5.119181 6.971943 7.642730 7.467981 7.060617 4.021803 4.316290 4.706752 4.250557 4.854850 4.954915 3.336012 5.850242 6.370981 6.329016 6.218290 5.280046 4.669402 4.822275 6.410540 5.580153 6.002128 3.954135 1.880238 7.476408 6.966640 0.979429 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.stoich">
                     <scalar cmlx:templateRef="stoich"
                             dataType="xsd:string"
                             dictRef="g:stoichiometry">C17H15Cl2F2FeN4O6(1-,3)</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                  </module>
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="-1"
                               id="mol.l202.orient"
                               spinMultiplicity="3">
                        <atomArray>
                           <atom elementType="Fe"
                                 id="a1"
                                 x3="0.765964"
                                 y3="0.036188"
                                 z3="0.200927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a2"
                                 x3="-0.586854"
                                 y3="1.293233"
                                 z3="-0.046397">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a3"
                                 x3="1.925743"
                                 y3="1.524002"
                                 z3="-0.131344">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a4"
                                 x3="1.939706"
                                 y3="-1.403065"
                                 z3="-0.23557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a5"
                                 x3="-0.571452"
                                 y3="-1.195332"
                                 z3="-0.144509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-1.86704"
                                 y3="0.754535"
                                 z3="-0.018875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-1.856884"
                                 y3="-0.674444"
                                 z3="-0.064696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="-3.086318"
                                 y3="1.447926"
                                 z3="0.002982">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-3.066697"
                                 y3="-1.385688"
                                 z3="-0.073944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="-4.276367"
                                 y3="0.726414"
                                 z3="0.006632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a11"
                                 x3="-3.101619"
                                 y3="2.527843"
                                 z3="0.037386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="-4.266336"
                                 y3="-0.682007"
                                 z3="-0.030453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="-3.067137"
                                 y3="-2.465843"
                                 z3="-0.10042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="1.266192"
                                 y3="2.833088"
                                 z3="-0.382218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="-0.247371"
                                 y3="2.60254"
                                 z3="-0.275069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.061296"
                                 y3="3.529438"
                                 z3="-0.413492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a17"
                                 x3="1.67379"
                                 y3="3.883047"
                                 z3="0.668302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="2.735967"
                                 y3="4.116741"
                                 z3="0.576563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="1.098726"
                                 y3="4.798945"
                                 z3="0.506511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="1.473808"
                                 y3="3.516114"
                                 z3="1.679506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a21"
                                 x3="1.531749"
                                 y3="3.341973"
                                 z3="-1.816315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="0.945191"
                                 y3="4.248112"
                                 z3="-1.991078">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="2.589434"
                                 y3="3.574876"
                                 z3="-1.944925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="1.239242"
                                 y3="2.58615"
                                 z3="-2.551893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a25"
                                 x3="-0.219305"
                                 y3="-2.495008"
                                 z3="-0.416789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a26"
                                 x3="1.293306"
                                 y3="-2.697414"
                                 z3="-0.58176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-1.024936"
                                 y3="-3.426124"
                                 z3="-0.565077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a28"
                                 x3="1.746751"
                                 y3="-3.842361"
                                 z3="0.342558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="1.147821"
                                 y3="-4.732325"
                                 z3="0.130347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="2.796839"
                                 y3="-4.07875"
                                 z3="0.164452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="1.613409"
                                 y3="-3.569481"
                                 z3="1.392409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a32"
                                 x3="1.519924"
                                 y3="-3.06533"
                                 z3="-2.065902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="2.579631"
                                 y3="-3.250765"
                                 z3="-2.247195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="0.956793"
                                 y3="-3.97231"
                                 z3="-2.302957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="1.17932"
                                 y3="-2.257346"
                                 z3="-2.720602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a36"
                                 x3="3.256755"
                                 y3="1.425499"
                                 z3="-0.189576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a37"
                                 x3="3.268371"
                                 y3="-1.286265"
                                 z3="-0.283914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a38"
                                 x3="3.830996"
                                 y3="0.054532"
                                 z3="0.267918">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a39"
                                 x3="4.079485"
                                 y3="2.313665"
                                 z3="-0.500798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a40"
                                 x3="4.099871"
                                 y3="-2.142985"
                                 z3="-0.658449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="F"
                                 id="a41"
                                 x3="5.177004"
                                 y3="0.06886"
                                 z3="0.032088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="F"
                                 id="a42"
                                 x3="3.705344"
                                 y3="0.00798"
                                 z3="1.662851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a43"
                                 x3="0.685649"
                                 y3="-0.036807"
                                 z3="1.901903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a44"
                                 x3="-5.781068"
                                 y3="1.609895"
                                 z3="0.077489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a45"
                                 x3="-5.75876"
                                 y3="-1.588883"
                                 z3="-0.009454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a46"
                                 x3="0.701373"
                                 y3="-1.364928"
                                 z3="2.456152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a47"
                                 x3="0.333212"
                                 y3="-1.187805"
                                 z3="3.346301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a15" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a36" order="S"/>
                           <bond atomRefs2="a4 a26" order="S"/>
                           <bond atomRefs2="a4 a37" order="S"/>
                           <bond atomRefs2="a5 a7" order="S"/>
                           <bond atomRefs2="a5 a25" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a11" order="S"/>
                           <bond atomRefs2="a9 a12" order="S"/>
                           <bond atomRefs2="a9 a13" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a10 a12" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a14 a21" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a14 a15" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a17 a20" order="S"/>
                           <bond atomRefs2="a17 a19" order="S"/>
                           <bond atomRefs2="a17 a18" order="S"/>
                           <bond atomRefs2="a21 a24" order="S"/>
                           <bond atomRefs2="a21 a22" order="S"/>
                           <bond atomRefs2="a21 a23" order="S"/>
                           <bond atomRefs2="a25 a26" order="S"/>
                           <bond atomRefs2="a25 a27" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a31" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                           <bond atomRefs2="a32 a35" order="S"/>
                           <bond atomRefs2="a32 a34" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                           <bond atomRefs2="a36 a38" order="S"/>
                           <bond atomRefs2="a36 a39" order="S"/>
                           <bond atomRefs2="a37 a38" order="S"/>
                           <bond atomRefs2="a37 a40" order="S"/>
                           <bond atomRefs2="a38 a42" order="S"/>
                           <bond atomRefs2="a38 a41" order="S"/>
                           <bond atomRefs2="a43 a46" order="S"/>
                           <bond atomRefs2="a46 a47" order="S"/>
                        </bondArray>
                        <formula concise="C 17 H 15 Cl 2 F 2 Fe 1 N 4 O 6"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">520.9529063999997</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C17H14Cl2F2N4O4.Fe.H2O2/c1-15(2)11(26)22-9-5-7(18)8(19)6-10(9)23-12(27)16(3,4)25-14(29)17(20,21)13(28)24-15;;1-2/h5-6H,1-4H3;;1-2H/q-4;+5;/p-1">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:17,21,28,32,8,9,10,12,6,7,15,25,36,37,14,26,38,44,45,41,42,2,5,3,4,16,27,39,40;1;43,46/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29);;(1,2)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,22-1,23-1,24-1,25-1,26.1,27.1,28.1,29.1;;/rA:47FeNNNNC3C3C3C3C3HC3HCC3O1CHHHCHHHC3CO1CHHHCHHHC3C3CO1O1FFOClClOH/rB:s1;s1;s1;s1;s2;s5s6;s6;s7;s8;s8;s9s10;s9;s3;s2s14;s15;s14;s17;s17;s17;s14;s21;s21;s21;s5;s4s25;s25;s26;s28;s28;s28;s26;s32;s32;s32;s3;s4;s36s37;s36;s37;s38;s38;s1;s10;s12;s43;s46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.2025462 0.0898594 0.0688047</array>
                  </module>
               </module>
               <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="g:alphaocc" size="132">-101.38924 -101.38917 -24.64133 -24.63905 -19.15844 -19.15125 -19.07077 -19.06928 -19.06699 -19.06561 -14.30537 -14.30353 -14.29393 -14.29084 -10.30168 -10.23926 -10.23798 -10.23776 -10.23626 -10.20273 -10.20231 -10.18445 -10.18409 -10.18184 -10.18053 -10.14745 -10.14736 -10.11422 -10.11285 -10.11257 -10.11124 -9.39241 -9.39232 -7.14223 -7.14216 -7.13166 -7.13156 -7.13109 -7.13101 -3.54788 -2.36872 -2.32481 -2.31351 -1.23688 -1.17861 -1.10359 -1.03015 -1.02771 -1.02046 -1.01925 -0.93773 -0.90252 -0.90076 -0.89013 -0.88035 -0.86770 -0.84223 -0.80823 -0.78056 -0.76631 -0.73310 -0.71994 -0.70919 -0.67094 -0.67086 -0.64997 -0.64203 -0.60974 -0.60550 -0.56596 -0.56482 -0.53953 -0.53344 -0.52478 -0.52103 -0.50889 -0.50223 -0.49460 -0.47473 -0.47187 -0.47001 -0.45835 -0.45659 -0.45064 -0.44796 -0.44229 -0.43890 -0.43413 -0.43238 -0.42900 -0.41850 -0.41532 -0.41132 -0.40969 -0.40355 -0.39991 -0.39964 -0.39782 -0.39130 -0.38653 -0.38280 -0.37886 -0.37450 -0.36867 -0.36597 -0.36525 -0.35886 -0.35494 -0.35044 -0.34874 -0.34593 -0.34148 -0.34021 -0.33124 -0.32835 -0.32730 -0.32193 -0.30877 -0.30323 -0.30301 -0.29917 -0.28493 -0.28284 -0.27314 -0.25992 -0.25644 -0.24945 -0.24519 -0.23997 -0.23429 -0.23369 -0.20487</array>
                  <array dataType="xsd:double" dictRef="g:alphavirt" size="470">-0.14683 -0.08568 -0.05123 -0.04576 -0.04106 -0.01668 -0.01172 0.00312 0.01356 0.01636 0.01728 0.01917 0.02099 0.02844 0.03194 0.04317 0.06051 0.07057 0.07484 0.08330 0.08882 0.09119 0.09556 0.10101 0.10522 0.11565 0.12128 0.12324 0.12452 0.12824 0.13004 0.13881 0.14028 0.14228 0.14379 0.14614 0.14932 0.15646 0.15806 0.16256 0.17005 0.17085 0.17539 0.17657 0.17816 0.17963 0.18592 0.18851 0.19120 0.19751 0.19795 0.20048 0.20163 0.20318 0.20987 0.21328 0.21519 0.21874 0.22344 0.22517 0.23254 0.23386 0.23888 0.24434 0.24648 0.25069 0.25322 0.25538 0.26277 0.26508 0.26729 0.27193 0.27368 0.27772 0.28508 0.29267 0.29554 0.29746 0.30409 0.30991 0.31161 0.31799 0.32137 0.33359 0.33957 0.34183 0.34492 0.34760 0.35367 0.35844 0.35975 0.36195 0.36915 0.37090 0.38112 0.38425 0.39176 0.39244 0.40532 0.41270 0.41607 0.42188 0.43240 0.43901 0.44468 0.45609 0.46071 0.46563 0.47187 0.48200 0.48862 0.49466 0.49690 0.50534 0.51573 0.52514 0.52991 0.53943 0.54392 0.55473 0.55995 0.56594 0.57511 0.57736 0.59423 0.60047 0.60515 0.61109 0.61280 0.62017 0.62323 0.63689 0.63884 0.64727 0.65398 0.65836 0.66399 0.66948 0.67072 0.67558 0.69062 0.69509 0.70314 0.70891 0.71408 0.72879 0.73631 0.73794 0.74862 0.75964 0.76606 0.76904 0.77788 0.78435 0.79132 0.79850 0.80382 0.80633 0.80921 0.81803 0.83265 0.83562 0.83780 0.84152 0.84880 0.85121 0.85544 0.86202 0.86310 0.86827 0.87691 0.88110 0.88777 0.89182 0.90239 0.90820 0.90975 0.91855 0.92843 0.93281 0.93525 0.93860 0.94558 0.94963 0.95788 0.97365 0.97667 0.98302 0.98918 0.99233 1.00170 1.01268 1.02004 1.03126 1.03890 1.04457 1.04713 1.05619 1.06543 1.06728 1.07245 1.07665 1.08474 1.08988 1.10509 1.11381 1.12947 1.13889 1.14158 1.15159 1.16514 1.17058 1.17584 1.18246 1.19059 1.19243 1.20239 1.20462 1.21497 1.21800 1.22311 1.22946 1.22972 1.23867 1.24278 1.25019 1.25602 1.26619 1.27117 1.27529 1.27828 1.28544 1.29716 1.30831 1.31869 1.32420 1.32720 1.33059 1.34958 1.35261 1.35483 1.36314 1.38782 1.39259 1.40454 1.42014 1.42870 1.43595 1.43799 1.44525 1.45361 1.46198 1.47131 1.47407 1.48586 1.48934 1.49270 1.50042 1.51186 1.51861 1.52756 1.53709 1.54714 1.55645 1.56318 1.56445 1.57576 1.58376 1.58966 1.60325 1.61680 1.61735 1.62972 1.63881 1.65910 1.67290 1.67813 1.67929 1.68501 1.69434 1.69834 1.70386 1.72006 1.72249 1.74941 1.75439 1.75727 1.76245 1.76788 1.77606 1.78238 1.78447 1.80014 1.80191 1.80414 1.80782 1.82156 1.83116 1.84253 1.84729 1.85539 1.85816 1.86833 1.87272 1.87843 1.88209 1.88720 1.89749 1.89987 1.90241 1.91002 1.91455 1.92451 1.92871 1.93791 1.93930 1.94587 1.95528 1.96112 1.96872 1.97894 1.97929 1.98586 1.98859 2.01257 2.01560 2.01927 2.02746 2.04845 2.05220 2.06007 2.07058 2.07819 2.09009 2.09449 2.09683 2.09864 2.10469 2.10636 2.11527 2.12293 2.12621 2.12922 2.13845 2.14817 2.14882 2.16010 2.16230 2.16367 2.16526 2.18209 2.18485 2.18859 2.20057 2.20922 2.21697 2.22008 2.22263 2.23285 2.24976 2.25576 2.26573 2.27604 2.27811 2.28785 2.29355 2.30437 2.31685 2.32225 2.32797 2.34284 2.35437 2.35876 2.37031 2.41267 2.42137 2.42813 2.43378 2.45468 2.47319 2.47940 2.48362 2.50865 2.52788 2.55165 2.55517 2.56180 2.56429 2.58643 2.59699 2.60046 2.60730 2.61386 2.61942 2.62769 2.63686 2.64802 2.65624 2.67924 2.68350 2.70361 2.70661 2.71647 2.72431 2.73139 2.74043 2.74990 2.77351 2.79701 2.79929 2.80737 2.80834 2.81646 2.83066 2.83286 2.84597 2.85748 2.86115 2.87110 2.88353 2.90684 2.91451 2.91768 2.91889 2.94686 2.94819 2.95527 2.96161 2.99705 3.00472 3.03483 3.04986 3.05287 3.06758 3.09480 3.10678 3.15542 3.16617 3.17665 3.19561 3.21648 3.22779 3.24068 3.26269 3.29220 3.31668 3.32217 3.32392 3.34275 3.42450 3.42903 3.49037 3.49991 3.50779 3.52199 3.52604 3.53811 3.53979 3.56776 3.58070 3.58836 3.68192 5.83467 5.85509 5.85651 5.86783 5.90708 5.93364 5.93972 48.93343</array>
                  <array dataType="xsd:double" dictRef="g:betaocc" size="130">-101.38924 -101.38917 -24.64134 -24.63906 -19.15448 -19.14928 -19.07043 -19.06904 -19.06595 -19.06488 -14.30489 -14.30341 -14.29306 -14.29020 -10.30169 -10.23918 -10.23790 -10.23771 -10.23623 -10.20270 -10.20233 -10.18462 -10.18414 -10.18193 -10.18060 -10.14729 -10.14722 -10.11420 -10.11287 -10.11251 -10.11115 -9.39240 -9.39232 -7.14223 -7.14215 -7.13163 -7.13157 -7.13109 -7.13101 -3.46392 -2.25334 -2.24953 -2.24225 -1.23689 -1.17863 -1.09784 -1.02953 -1.02723 -1.01894 -1.01802 -0.93702 -0.90111 -0.89956 -0.88963 -0.87881 -0.86112 -0.84217 -0.80792 -0.78020 -0.76570 -0.73283 -0.71972 -0.70887 -0.67085 -0.67068 -0.64960 -0.64182 -0.60951 -0.60504 -0.56574 -0.56464 -0.53924 -0.53326 -0.52375 -0.51556 -0.50774 -0.50101 -0.49414 -0.47294 -0.46836 -0.46581 -0.45615 -0.45156 -0.44964 -0.44465 -0.43931 -0.43397 -0.43215 -0.42797 -0.42745 -0.41743 -0.41257 -0.40950 -0.40449 -0.40019 -0.39802 -0.39703 -0.39372 -0.38895 -0.38465 -0.37711 -0.37398 -0.36841 -0.36785 -0.36455 -0.36072 -0.35364 -0.34628 -0.34368 -0.34119 -0.34003 -0.33510 -0.32942 -0.32838 -0.32698 -0.31693 -0.30712 -0.29920 -0.29837 -0.28679 -0.27978 -0.27228 -0.26805 -0.25922 -0.25303 -0.24672 -0.24359 -0.24014 -0.23484 -0.20933</array>
                  <array dataType="xsd:double" dictRef="g:betavirt" size="472">-0.14934 -0.12650 -0.11859 -0.05132 -0.04367 -0.03935 -0.03715 -0.01655 -0.00297 0.00696 0.01457 0.01837 0.02005 0.02138 0.02166 0.03006 0.03286 0.04333 0.06083 0.07074 0.07527 0.08348 0.08917 0.09134 0.09580 0.10124 0.10566 0.11605 0.12171 0.12354 0.12529 0.12862 0.13031 0.13918 0.14096 0.14278 0.14461 0.14691 0.14987 0.15747 0.15868 0.16289 0.17059 0.17133 0.17573 0.17699 0.17860 0.18003 0.18650 0.18877 0.19160 0.19808 0.19886 0.20103 0.20194 0.20399 0.21061 0.21394 0.21574 0.21956 0.22377 0.22627 0.23293 0.23432 0.23953 0.24469 0.24685 0.25130 0.25372 0.25573 0.26339 0.26552 0.26776 0.27231 0.27406 0.27846 0.28557 0.29394 0.29583 0.29792 0.30527 0.31078 0.31208 0.31838 0.32209 0.33447 0.34024 0.34440 0.34675 0.34864 0.35445 0.35944 0.36035 0.36317 0.36983 0.37256 0.38177 0.38576 0.39258 0.39315 0.40596 0.41396 0.41771 0.42276 0.43343 0.44064 0.44487 0.45768 0.46199 0.46724 0.47390 0.48234 0.48915 0.49531 0.49755 0.50594 0.51660 0.52605 0.53108 0.54116 0.54439 0.55563 0.56067 0.56643 0.57530 0.57774 0.59434 0.60110 0.60605 0.61160 0.61580 0.62067 0.62348 0.63797 0.63919 0.64735 0.65424 0.65964 0.66670 0.67048 0.67269 0.68094 0.69222 0.69671 0.70365 0.70998 0.71502 0.73086 0.73845 0.74044 0.75093 0.76018 0.76688 0.76949 0.77925 0.78489 0.79292 0.80006 0.80432 0.80766 0.81186 0.81869 0.83340 0.83646 0.83898 0.84331 0.84955 0.85211 0.85754 0.86242 0.86368 0.86859 0.87848 0.88461 0.88998 0.89220 0.90525 0.90915 0.91057 0.91976 0.92923 0.93311 0.93600 0.93921 0.94590 0.95013 0.95928 0.97640 0.97862 0.98409 0.99200 0.99297 1.00209 1.01419 1.02177 1.03204 1.03917 1.04513 1.04969 1.05720 1.06618 1.06965 1.07377 1.07798 1.08523 1.09068 1.10802 1.11491 1.13105 1.13960 1.14266 1.15305 1.16694 1.17292 1.17698 1.18307 1.19229 1.19373 1.20366 1.20595 1.21640 1.21916 1.22386 1.23051 1.23076 1.23999 1.24406 1.25186 1.25785 1.26812 1.27287 1.27676 1.27980 1.28670 1.29811 1.30936 1.32012 1.32625 1.32967 1.33189 1.35097 1.35342 1.35581 1.36414 1.38949 1.39454 1.40547 1.42136 1.43001 1.43700 1.43987 1.44682 1.45487 1.46328 1.47235 1.47557 1.48687 1.48994 1.49341 1.50089 1.51247 1.51881 1.52834 1.53849 1.54795 1.55780 1.56392 1.56573 1.57636 1.58497 1.59054 1.60508 1.61756 1.61830 1.63101 1.64051 1.66028 1.67449 1.67926 1.68113 1.68641 1.69611 1.69906 1.70506 1.72140 1.72347 1.75035 1.75554 1.75817 1.76347 1.76885 1.77658 1.78308 1.78554 1.80119 1.80268 1.80495 1.80903 1.82334 1.83262 1.84357 1.84819 1.85627 1.85869 1.86889 1.87372 1.87954 1.88306 1.88809 1.89849 1.90101 1.90347 1.91163 1.91564 1.92529 1.92984 1.93876 1.94005 1.94734 1.95807 1.96224 1.97002 1.97985 1.98011 1.98646 1.98943 2.01355 2.01619 2.02026 2.02874 2.04953 2.05292 2.06110 2.07195 2.07852 2.09068 2.09516 2.09693 2.09911 2.10512 2.10707 2.11619 2.12426 2.12674 2.13040 2.13920 2.14887 2.14988 2.16033 2.16296 2.16408 2.16563 2.18275 2.18561 2.18933 2.20129 2.20988 2.21769 2.22159 2.22328 2.23345 2.25073 2.25651 2.26734 2.27731 2.27897 2.28850 2.29467 2.30598 2.31754 2.32379 2.32947 2.34433 2.35535 2.35980 2.37150 2.41309 2.42267 2.42968 2.43592 2.45554 2.47468 2.48094 2.48454 2.50926 2.52942 2.55239 2.55613 2.56311 2.56510 2.58695 2.59753 2.60274 2.60859 2.61426 2.62001 2.62807 2.63772 2.64864 2.65713 2.68001 2.68433 2.70462 2.70710 2.71732 2.72514 2.73181 2.74086 2.75020 2.77377 2.79785 2.79978 2.80787 2.80867 2.81715 2.83102 2.83424 2.84743 2.85808 2.86176 2.87139 2.88396 2.90738 2.91480 2.91789 2.91928 2.94707 2.94837 2.95598 2.96248 2.99779 3.00531 3.03555 3.05045 3.05343 3.06816 3.09552 3.10744 3.15629 3.16911 3.17786 3.19623 3.21727 3.22840 3.24100 3.26304 3.29273 3.31683 3.32225 3.32400 3.34288 3.42475 3.42934 3.49043 3.50004 3.50820 3.52213 3.52618 3.53826 3.53993 3.56889 3.58087 3.58875 3.68233 5.94053 5.94449 5.94965 5.97219 5.98281 5.99176 6.00750 49.02766</array>
                  <module cmlx:templateRef="l601.state">
                     <scalar dataType="xsd:string" dictRef="g:l601.state">3-A.</scalar>
                  </module>
                  <list cmlx:templateRef="multipole" dictRef="cc:multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-8.1772 -0.5572 2.0167</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">8.4406</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-312.7941 -243.2625 -196.3767</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-0.0212 -1.2994 -2.5637</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-61.9830 7.5486 54.4344 -0.0212 -1.2994 -2.5637</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-169.9872 -10.8002 65.3392 21.3279 -7.4950 31.8982 17.4349 -14.0618 37.0505 1.4729</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-14578.1447 -6028.6513 -920.4948 -24.6167 159.0615 -2.4720 -9.2881 20.6923 -70.0819 -3311.6590 -2272.0048 -1097.6244 -6.7769 20.1289 3.9896</array>
                  </list>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="-1"
                               id="mol.l202.orient"
                               spinMultiplicity="3">
                        <atomArray>
                           <atom elementType="Fe"
                                 id="a1"
                                 x3="0.750801"
                                 y3="0.028224"
                                 z3="0.183193">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a2"
                                 x3="-0.582786"
                                 y3="1.272603"
                                 z3="-0.168968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a3"
                                 x3="1.941567"
                                 y3="1.488104"
                                 z3="-0.153935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a4"
                                 x3="1.920947"
                                 y3="-1.39663"
                                 z3="-0.351478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a5"
                                 x3="-0.592865"
                                 y3="-1.19905"
                                 z3="-0.229977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-1.876283"
                                 y3="0.749765"
                                 z3="-0.079025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-1.882479"
                                 y3="-0.672388"
                                 z3="-0.128833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="-3.076764"
                                 y3="1.457528"
                                 z3="0.049168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-3.090115"
                                 y3="-1.375437"
                                 z3="-0.059243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="-4.274744"
                                 y3="0.745595"
                                 z3="0.11213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a11"
                                 x3="-3.079523"
                                 y3="2.537184"
                                 z3="0.094277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="-4.281367"
                                 y3="-0.658933"
                                 z3="0.057381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="-3.103252"
                                 y3="-2.455558"
                                 z3="-0.090373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="1.290142"
                                 y3="2.808976"
                                 z3="-0.361466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="-0.22573"
                                 y3="2.58689"
                                 z3="-0.303535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.031094"
                                 y3="3.525041"
                                 z3="-0.420381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a17"
                                 x3="1.675195"
                                 y3="3.802675"
                                 z3="0.751326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="2.74218"
                                 y3="4.027633"
                                 z3="0.702324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="1.114023"
                                 y3="4.731454"
                                 z3="0.617204">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="1.440489"
                                 y3="3.387871"
                                 z3="1.736019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a21"
                                 x3="1.592079"
                                 y3="3.384717"
                                 z3="-1.763276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="0.991616"
                                 y3="4.285865"
                                 z3="-1.914759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="2.647881"
                                 y3="3.643001"
                                 z3="-1.847616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="1.336619"
                                 y3="2.656788"
                                 z3="-2.539455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a25"
                                 x3="-0.246593"
                                 y3="-2.486052"
                                 z3="-0.536129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a26"
                                 x3="1.268165"
                                 y3="-2.701923"
                                 z3="-0.641023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-1.056429"
                                 y3="-3.402752"
                                 z3="-0.755355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a28"
                                 x3="1.665001"
                                 y3="-3.76867"
                                 z3="0.399435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="1.099761"
                                 y3="-4.685073"
                                 z3="0.208554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="2.730845"
                                 y3="-3.992122"
                                 z3="0.326111">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="1.43976"
                                 y3="-3.420583"
                                 z3="1.412263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a32"
                                 x3="1.554497"
                                 y3="-3.180641"
                                 z3="-2.080046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="2.611079"
                                 y3="-3.423748"
                                 z3="-2.19547">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="0.959266"
                                 y3="-4.074911"
                                 z3="-2.283856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="1.282966"
                                 y3="-2.405336"
                                 z3="-2.803089">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a36"
                                 x3="3.274328"
                                 y3="1.390949"
                                 z3="-0.211451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a37"
                                 x3="3.258077"
                                 y3="-1.311301"
                                 z3="-0.371826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a38"
                                 x3="3.845363"
                                 y3="0.00881"
                                 z3="0.196376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a39"
                                 x3="4.094261"
                                 y3="2.289297"
                                 z3="-0.492866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a40"
                                 x3="4.071361"
                                 y3="-2.190475"
                                 z3="-0.721129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="F"
                                 id="a41"
                                 x3="5.186066"
                                 y3="0.015559"
                                 z3="-0.064858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="F"
                                 id="a42"
                                 x3="3.741837"
                                 y3="-0.074133"
                                 z3="1.590597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a43"
                                 x3="0.367176"
                                 y3="0.242767"
                                 z3="1.969668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a44"
                                 x3="-5.764148"
                                 y3="1.645152"
                                 z3="0.263264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a45"
                                 x3="-5.778878"
                                 y3="-1.553516"
                                 z3="0.140972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a46"
                                 x3="1.001255"
                                 y3="-0.759324"
                                 z3="2.746884">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a47"
                                 x3="0.366373"
                                 y3="-1.503562"
                                 z3="2.701876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a15" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a36" order="S"/>
                           <bond atomRefs2="a4 a26" order="S"/>
                           <bond atomRefs2="a4 a37" order="S"/>
                           <bond atomRefs2="a5 a7" order="S"/>
                           <bond atomRefs2="a5 a25" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a11" order="S"/>
                           <bond atomRefs2="a9 a12" order="S"/>
                           <bond atomRefs2="a9 a13" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a10 a12" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a14 a21" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a14 a15" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a17 a20" order="S"/>
                           <bond atomRefs2="a17 a19" order="S"/>
                           <bond atomRefs2="a17 a18" order="S"/>
                           <bond atomRefs2="a21 a24" order="S"/>
                           <bond atomRefs2="a21 a22" order="S"/>
                           <bond atomRefs2="a21 a23" order="S"/>
                           <bond atomRefs2="a25 a26" order="S"/>
                           <bond atomRefs2="a25 a27" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a28 a31" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                           <bond atomRefs2="a32 a35" order="S"/>
                           <bond atomRefs2="a32 a34" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                           <bond atomRefs2="a36 a38" order="S"/>
                           <bond atomRefs2="a36 a39" order="S"/>
                           <bond atomRefs2="a37 a38" order="S"/>
                           <bond atomRefs2="a37 a40" order="S"/>
                           <bond atomRefs2="a38 a42" order="S"/>
                           <bond atomRefs2="a38 a41" order="S"/>
                           <bond atomRefs2="a43 a46" order="S"/>
                           <bond atomRefs2="a46 a47" order="S"/>
                        </bondArray>
                        <formula concise="C 17 H 15 Cl 2 F 2 Fe 1 N 4 O 6"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">520.9529063999997</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C17H14Cl2F2N4O4.Fe.H2O2/c1-15(2)11(26)22-9-5-7(18)8(19)6-10(9)23-12(27)16(3,4)25-14(29)17(20,21)13(28)24-15;;1-2/h5-6H,1-4H3;;1-2H/q-4;+5;/p-1">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:17,21,28,32,8,9,10,12,6,7,15,25,36,37,14,26,38,44,45,41,42,2,5,3,4,16,27,39,40;1;43,46/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29);;(1,2)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,22-1,23-1,24-1,25-1,26.1,27.1,28.1,29.1;;/rA:47FeNNNNC3C3C3C3C3HC3HCC3O1CHHHCHHHC3CO1CHHHCHHHC3C3CO1O1FFOClClOH/rB:s1;s1;s1;s1;s2;s5s6;s6;s7;s8;s8;s9s10;s9;s3;s2s14;s15;s14;s17;s17;s17;s14;s21;s21;s21;s5;s4s25;s25;s26;s28;s28;s28;s26;s32;s32;s32;s3;s4;s36s37;s36;s37;s38;s38;s1;s10;s12;s43;s46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="1128">0.000000 1.857674 0.000000 1.913851 2.533580 0.000000 1.919720 3.664259 2.891563 0.000000 1.866106 2.472427 3.694581 2.524491 0.000000 2.736961 1.398064 3.889311 4.370378 2.338339 0.000000 2.742696 2.339615 4.392230 3.878163 1.396677 1.423038 0.000000 4.087924 2.510319 5.022532 5.769216 3.647613 1.399469 2.448375 0.000000 4.096545 3.648404 5.790221 5.019621 2.509286 2.447502 1.399109 2.835070 0.000000 5.076985 3.739960 6.266150 6.571959 4.177907 2.406069 2.791356 1.394980 2.435465 0.000000 4.579756 2.811077 5.135516 6.377953 4.499784 2.161639 3.432789 1.080601 3.915646 2.153756 0.000000 5.080426 4.178704 6.586299 6.259398 3.738896 2.790603 2.406142 2.435271 1.395012 1.405610 3.414814 0.000000 4.593228 4.500901 6.403648 5.141214 2.810755 3.432153 2.161356 3.915662 1.080649 3.414788 4.996211 2.153519 0.000000 2.884463 2.430095 1.487322 4.252663 4.430269 3.787661 4.715882 4.589652 6.065254 5.953973 4.401766 6.575983 6.862268 0.000000 2.781598 1.368557 2.434521 4.525368 3.804411 2.479870 3.660359 3.086786 4.895346 4.467399 2.881815 5.207093 5.809634 1.533150 0.000000 3.970791 2.310339 3.613423 5.739525 4.748194 2.921134 4.292816 2.946159 5.327727 4.304666 2.331693 5.319603 6.338005 2.429889 1.241931 0.000000 3.927309 3.513786 2.499538 5.320653 5.578917 4.756337 5.784282 5.345452 7.083647 6.719828 4.963922 7.474500 7.918806 1.540782 2.490861 2.962091 0.000000 4.497817 4.405081 2.797029 5.586372 6.269763 5.717091 6.645938 6.394698 7.986790 7.768997 6.040147 8.468180 8.765227 2.173749 3.449056 3.968711 1.091542 0.000000 4.737158 3.932032 3.434939 6.256427 6.229130 5.027973 6.223913 5.348266 7.444896 6.721680 4.761733 7.647216 8.362966 2.164424 2.691069 2.670869 1.093405 1.775811 0.000000 3.764859 3.492417 2.726191 5.242131 5.388833 4.610310 5.568257 5.193964 6.814575 6.502501 4.883594 7.206530 7.624103 2.181093 2.752751 3.282925 1.093970 1.781073 1.778635 0.000000 3.970205 3.425330 2.511824 4.996259 5.304329 4.670033 5.586059 5.366293 6.890989 6.700875 5.098302 7.359569 7.678121 1.545223 2.464103 2.950271 2.550455 2.795578 2.776495 3.502578 0.000000 4.752567 3.821816 3.439531 5.966427 5.952593 4.909049 6.002851 5.329935 7.221759 6.661556 4.865006 7.492977 8.095869 2.164032 2.639032 2.627427 2.794416 3.159158 2.573785 3.786299 1.093422 0.000000 4.559573 4.344406 2.830374 5.307046 6.046872 5.653918 6.488525 6.414487 7.829917 7.756179 6.147922 8.375568 8.564803 2.178921 3.428878 3.947883 2.779589 2.580509 3.100450 3.790162 1.090203 1.777919 0.000000 3.829536 3.349521 2.724425 4.643154 4.891226 4.473610 5.220833 5.255201 6.481224 6.493917 5.143263 7.021348 7.200454 2.183794 2.728582 3.293995 3.500990 3.789980 3.783951 4.338773 1.094346 1.778528 1.780636 0.000000 2.798894 3.791480 4.552805 2.432934 1.367482 3.651760 2.476165 4.889199 3.089742 5.204784 5.801362 4.468783 2.891389 5.516284 5.078315 6.063175 6.700665 7.272869 7.434638 6.520113 6.273160 7.020872 6.903859 5.741836 0.000000 2.898397 4.409730 4.271657 1.487868 2.427142 4.702930 3.782580 6.054403 4.592672 6.570879 6.847722 5.954736 4.412845 5.518030 5.506103 6.641563 6.664391 7.018848 7.540689 6.539543 6.197706 7.108309 6.604358 5.685465 1.533654 0.000000 3.989806 4.735729 5.768029 3.612813 2.312405 4.286372 2.920578 5.324597 2.954735 5.321547 6.332268 4.311531 2.351353 6.651851 6.063828 6.935934 7.851754 8.471416 8.529953 7.652065 7.355286 8.040742 8.034774 6.754830 1.242672 2.430632 0.000000 3.911384 5.548879 5.293050 2.501190 3.478083 5.760718 4.738211 7.065420 5.343133 7.466036 7.897304 6.719133 4.969951 6.632113 6.667996 7.819159 7.579525 7.876192 8.520746 7.283745 7.473525 8.407405 7.806930 7.073289 2.484869 1.542070 2.978861 0.000000 4.726265 6.202208 6.240845 3.435381 3.899954 6.202983 5.010910 7.429691 5.346070 7.641122 8.345086 6.722290 4.767118 7.518108 7.409494 8.505415 8.524529 8.879898 9.425400 8.223239 8.321778 9.219429 8.716727 7.842868 2.683824 2.164030 2.687494 1.093492 0.000000 4.483769 6.240399 5.557542 2.802078 4.376932 6.623840 5.701786 7.968921 6.393677 8.459906 8.743337 7.768750 6.047410 6.985938 7.240248 8.439027 7.877440 8.028582 8.876915 7.623461 7.751133 8.750513 7.938959 7.373150 3.446279 2.177015 3.982508 1.091481 1.776073 0.000000 3.725527 5.349484 5.176871 2.727400 3.429829 5.532801 4.578736 6.786235 5.183408 7.190475 7.593154 6.495668 4.881409 6.478882 6.465876 7.596407 7.257253 7.594487 8.197190 6.816147 7.511281 8.405905 7.872775 7.249907 2.741051 2.182178 3.306032 1.094403 1.778609 1.781371 0.000000 4.008116 5.296374 5.065265 2.510962 3.458413 5.587703 4.680958 6.891642 5.377251 7.362133 7.674330 6.707079 5.116558 6.236900 6.292028 7.376039 7.536441 7.817377 8.370808 7.597414 6.573102 7.489517 6.914593 5.859531 2.471853 1.543354 2.936167 2.550650 2.776291 2.798551 3.502422 0.000000 4.586369 6.030190 5.361194 2.825915 4.367803 6.483361 5.659773 7.824117 6.423602 8.373947 8.553280 7.760499 6.166231 6.629879 6.910475 8.043758 7.860068 7.996091 8.755548 7.951417 6.897850 7.882866 7.075401 6.222178 3.434964 2.177327 3.940177 2.783445 3.107146 2.587617 3.793116 1.090317 0.000000 4.792235 5.953704 6.037269 3.439783 3.859807 6.014908 4.929179 7.234668 5.351033 7.508188 8.104760 6.679410 4.892620 7.154927 7.050212 8.074240 8.472382 8.817442 9.273197 8.490235 7.504499 8.368982 7.912516 6.747111 2.652003 2.163196 2.617469 2.791397 2.569853 3.155515 3.784219 1.093416 1.777727 0.000000 3.888868 4.893553 4.755065 2.726701 3.405109 5.230300 4.491636 6.485702 5.264335 7.022464 7.201010 6.495691 5.157544 5.757658 5.783273 6.797172 7.164294 7.469961 7.915852 7.361355 5.890795 6.756196 6.273619 5.069268 2.735905 2.182363 3.265092 3.501540 3.781634 3.795541 4.338721 1.094357 1.780519 1.778164 0.000000 2.894987 3.859164 1.337535 3.101910 4.654420 5.192056 5.554894 6.356785 6.941340 7.583513 6.463648 7.833442 7.448745 2.443420 3.699887 4.809851 3.049687 2.840822 4.063565 3.338159 3.035330 4.061104 2.853280 3.282783 5.247232 4.578300 6.483121 5.439190 6.467085 5.437076 5.399345 5.229618 5.249527 6.287289 5.009380 0.000000 2.896343 4.633566 3.101183 1.340004 3.855188 5.540341 5.185804 6.926316 6.356206 7.823580 7.429216 7.579776 6.469547 4.566131 5.228524 6.464484 5.469893 5.470298 6.487683 5.461580 5.173418 6.232635 5.205324 4.912875 3.699965 2.442549 4.810013 3.028432 4.046913 2.819910 3.307313 3.051988 2.864736 4.071601 3.317983 2.707053 0.000000 3.094651 4.619433 2.436282 2.445155 4.619370 5.775993 5.777367 7.073634 7.076888 8.153900 7.372730 8.155302 7.378251 3.831615 4.844607 6.043519 4.405793 4.198088 5.471809 4.424023 4.507136 5.558234 4.338112 4.559645 4.848196 3.832918 6.047489 4.366299 5.437924 4.155290 4.361885 4.539026 4.361976 5.581925 4.625015 1.550069 1.552562 0.000000 4.092460 4.797223 2.321826 4.281278 5.848661 6.179711 6.680233 7.239423 8.076730 8.531663 7.202039 8.896403 8.630170 2.854893 4.334367 5.272721 3.112910 2.505677 4.009764 3.635561 3.012441 3.954045 2.399975 3.453718 6.453592 5.737687 7.681011 6.587600 7.622392 6.479649 6.578649 6.236166 6.143091 7.317034 5.939704 1.248404 3.698399 2.395334 0.000000 4.094697 5.827425 4.288318 2.321876 4.793658 6.665717 6.172812 8.062069 7.238032 8.886635 8.611085 8.527588 7.207162 5.732281 6.439145 7.667635 6.620241 6.515966 7.645266 6.639052 6.189966 7.269977 6.109396 5.855005 4.332010 2.850597 5.269252 3.088192 3.989703 2.477826 3.604143 3.026828 2.413931 3.959590 3.486526 3.704272 1.247554 2.393688 4.485642 0.000000 4.442214 5.905138 3.564140 3.568953 5.907502 7.100425 7.102231 8.388482 8.392263 9.490584 8.643140 9.492216 8.649847 4.803059 5.996353 7.148143 5.228252 4.760030 6.267887 5.352102 5.210815 6.265066 4.772729 5.283745 5.999494 4.802772 7.150551 5.189784 6.234467 4.716192 5.293747 5.240703 4.795716 6.286632 5.347226 2.359646 2.360493 1.365933 2.558342 2.557312 0.000000 3.307198 4.859232 2.953802 2.972590 4.834209 5.918591 5.911622 7.156487 7.147792 8.192886 7.455796 8.189295 7.439899 4.258365 5.139102 6.307057 4.472698 4.314259 5.562964 4.159666 5.275752 6.233844 5.180264 5.504574 5.123269 4.243167 6.293374 4.402468 5.491027 4.239300 4.065721 5.282847 5.180042 6.225779 5.548425 2.369052 2.369749 1.400517 3.170303 3.151439 2.198720 0.000000 1.839753 2.556708 2.922201 3.238757 2.799814 3.080147 3.209699 4.126099 4.322954 5.025008 4.545457 5.106747 4.854750 3.587685 3.318721 4.294278 3.983493 4.644569 4.747131 3.331407 5.030617 5.641395 5.597756 5.205719 3.755287 4.037164 4.768880 4.499067 5.284109 5.120790 3.857625 5.434118 5.985549 6.089777 5.534467 3.811448 4.031752 3.911149 4.913606 5.184789 5.235706 3.410639 0.000000 6.713079 5.212688 7.718598 8.288005 5.922409 4.004294 4.537850 2.702420 4.047025 1.746530 2.833988 2.747696 4.901147 7.176892 5.646432 5.138399 7.761246 8.844580 7.547169 7.557305 7.826048 7.573473 8.899969 7.700619 6.938969 8.316743 6.977215 9.193489 9.337450 10.195474 8.881337 9.074245 10.093737 9.187558 8.687392 9.054503 9.515486 9.748066 9.908324 10.602749 11.075668 9.750974 6.517026 0.000000 6.718660 5.923038 8.303234 7.717151 5.211331 4.536931 4.003886 4.046756 2.702081 2.747574 4.901278 1.746369 2.833050 8.321949 6.941037 6.974834 9.199159 10.201606 9.340221 8.892735 9.074321 9.174093 10.097947 8.691469 5.651041 7.182699 5.150203 7.770781 7.558233 8.854177 7.563785 7.833188 8.907755 7.592088 7.698229 9.526521 9.054732 9.750382 10.613568 9.908387 11.078553 9.743408 6.659185 3.201038 0.000000 2.693598 3.891029 3.788122 3.294214 3.405332 4.306198 4.073479 5.368644 4.999325 6.086285 5.878438 5.928710 5.270125 4.741103 4.691236 5.702438 5.024767 5.488716 5.890407 4.291154 6.153348 6.869129 6.572768 6.302989 3.913680 3.914442 4.846386 3.873918 4.675931 4.393474 3.009286 5.428454 5.841024 6.025217 5.795767 4.306075 3.888995 3.896675 5.418188 4.847769 5.100881 3.052422 1.417852 7.597403 7.306963 0.000000 2.972863 4.104843 4.425715 3.427989 3.099779 4.223790 3.709596 5.259287 4.425777 5.771088 5.916198 5.413708 4.554256 5.369860 5.110272 6.081797 5.802914 6.343247 6.616665 5.100266 6.733142 7.431130 7.238112 6.761763 3.438850 3.663915 4.193296 3.481147 4.108105 4.174676 2.547593 5.204902 5.719249 5.641000 5.653138 5.032084 4.224519 4.546226 6.203974 5.090751 5.761248 3.830400 1.893618 7.310575 6.657690 0.979281 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.stoich">
                     <scalar cmlx:templateRef="stoich"
                             dataType="xsd:string"
                             dictRef="g:stoichiometry">C17H15Cl2F2FeN4O6(1-,3)</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                  </module>
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="-1"
                               id="mol.l202.orient"
                               spinMultiplicity="3">
                        <atomArray>
                           <atom elementType="Fe"
                                 id="a1"
                                 x3="0.749401"
                                 y3="0.021733"
                                 z3="0.189691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a2"
                                 x3="-0.584097"
                                 y3="1.245897"
                                 z3="-0.227627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a3"
                                 x3="1.938281"
                                 y3="1.477275"
                                 z3="-0.171958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a4"
                                 x3="1.937384"
                                 y3="-1.4124"
                                 z3="-0.276448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a5"
                                 x3="-0.579341"
                                 y3="-1.226453"
                                 z3="-0.208841">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-1.876161"
                                 y3="0.718294"
                                 z3="-0.145236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-1.873541"
                                 y3="-0.704737"
                                 z3="-0.149128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="-3.082762"
                                 y3="1.422433"
                                 z3="-0.06267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-3.078377"
                                 y3="-1.412583"
                                 z3="-0.079627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="-4.277769"
                                 y3="0.705553"
                                 z3="0.000678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a11"
                                 x3="-3.092352"
                                 y3="2.502944"
                                 z3="-0.052564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="-4.275579"
                                 y3="-0.700024"
                                 z3="-0.00873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="-3.084944"
                                 y3="-2.493206"
                                 z3="-0.076048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="1.283633"
                                 y3="2.786745"
                                 z3="-0.434353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="-0.231817"
                                 y3="2.557333"
                                 z3="-0.397874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.039986"
                                 y3="3.486265"
                                 z3="-0.560173">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a17"
                                 x3="1.641913"
                                 y3="3.818143"
                                 z3="0.652782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="2.708377"
                                 y3="4.047955"
                                 z3="0.616664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="1.078269"
                                 y3="4.738651"
                                 z3="0.478128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="1.390787"
                                 y3="3.43386"
                                 z3="1.645773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a21"
                                 x3="1.609032"
                                 y3="3.318845"
                                 z3="-1.848107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.006589"
                                 y3="4.210936"
                                 z3="-2.039957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="2.664805"
                                 y3="3.580758"
                                 z3="-1.920826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="1.372436"
                                 y3="2.56472"
                                 z3="-2.605016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a25"
                                 x3="-0.220186"
                                 y3="-2.520503"
                                 z3="-0.466619">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a26"
                                 x3="1.297466"
                                 y3="-2.730333"
                                 z3="-0.535885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-1.020616"
                                 y3="-3.448751"
                                 z3="-0.671318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a28"
                                 x3="1.680302"
                                 y3="-3.76053"
                                 z3="0.545832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="1.123878"
                                 y3="-4.686065"
                                 z3="0.374063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="2.748569"
                                 y3="-3.979678"
                                 z3="0.499892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="1.433884"
                                 y3="-3.381368"
                                 z3="1.542442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a32"
                                 x3="1.613805"
                                 y3="-3.253419"
                                 z3="-1.953014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="2.673723"
                                 y3="-3.493624"
                                 z3="-2.040563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="1.02752"
                                 y3="-4.157434"
                                 z3="-2.138985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="1.351815"
                                 y3="-2.503505"
                                 z3="-2.705748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a36"
                                 x3="3.272413"
                                 y3="1.386506"
                                 z3="-0.201152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a37"
                                 x3="3.274166"
                                 y3="-1.319558"
                                 z3="-0.274319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a38"
                                 x3="3.843211"
                                 y3="0.021764"
                                 z3="0.261865">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a39"
                                 x3="4.092577"
                                 y3="2.280336"
                                 z3="-0.495958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a40"
                                 x3="4.098807"
                                 y3="-2.204522"
                                 z3="-0.5796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="F"
                                 id="a41"
                                 x3="5.188589"
                                 y3="0.028326"
                                 z3="0.025886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="F"
                                 id="a42"
                                 x3="3.713601"
                                 y3="-0.016829"
                                 z3="1.655838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a43"
                                 x3="0.33063"
                                 y3="0.291387"
                                 z3="1.960738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a44"
                                 x3="-5.774734"
                                 y3="1.600347"
                                 z3="0.094516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a45"
                                 x3="-5.76944"
                                 y3="-1.600631"
                                 z3="0.075489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a46"
                                 x3="0.955319"
                                 y3="-0.681216"
                                 z3="2.781781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a47"
                                 x3="0.325536"
                                 y3="-1.430405"
                                 z3="2.7489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a15" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a36" order="S"/>
                           <bond atomRefs2="a4 a26" order="S"/>
                           <bond atomRefs2="a4 a37" order="S"/>
                           <bond atomRefs2="a5 a7" order="S"/>
                           <bond atomRefs2="a5 a25" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a11" order="S"/>
                           <bond atomRefs2="a9 a12" order="S"/>
                           <bond atomRefs2="a9 a13" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a10 a12" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a14 a21" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a14 a15" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a17 a20" order="S"/>
                           <bond atomRefs2="a17 a19" order="S"/>
                           <bond atomRefs2="a17 a18" order="S"/>
                           <bond atomRefs2="a21 a24" order="S"/>
                           <bond atomRefs2="a21 a22" order="S"/>
                           <bond atomRefs2="a21 a23" order="S"/>
                           <bond atomRefs2="a25 a26" order="S"/>
                           <bond atomRefs2="a25 a27" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a28 a31" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                           <bond atomRefs2="a32 a35" order="S"/>
                           <bond atomRefs2="a32 a34" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                           <bond atomRefs2="a36 a38" order="S"/>
                           <bond atomRefs2="a36 a39" order="S"/>
                           <bond atomRefs2="a37 a38" order="S"/>
                           <bond atomRefs2="a37 a40" order="S"/>
                           <bond atomRefs2="a38 a42" order="S"/>
                           <bond atomRefs2="a38 a41" order="S"/>
                           <bond atomRefs2="a43 a46" order="S"/>
                           <bond atomRefs2="a46 a47" order="S"/>
                        </bondArray>
                        <formula concise="C 17 H 15 Cl 2 F 2 Fe 1 N 4 O 6"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">520.9529063999997</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C17H14Cl2F2N4O4.Fe.H2O2/c1-15(2)11(26)22-9-5-7(18)8(19)6-10(9)23-12(27)16(3,4)25-14(29)17(20,21)13(28)24-15;;1-2/h5-6H,1-4H3;;1-2H/q-4;+5;/p-1">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:17,21,28,32,8,9,10,12,6,7,15,25,36,37,14,26,38,44,45,41,42,2,5,3,4,16,27,39,40;1;43,46/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29);;(1,2)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,22-1,23-1,24-1,25-1,26.1,27.1,28.1,29.1;;/rA:47FeNNNNC3C3C3C3C3HC3HCC3O1CHHHCHHHC3CO1CHHHCHHHC3C3CO1O1FFOClClOH/rB:s1;s1;s1;s1;s2;s5s6;s6;s7;s8;s8;s9s10;s9;s3;s2s14;s15;s14;s17;s17;s17;s14;s21;s21;s21;s5;s4s25;s25;s26;s28;s28;s28;s26;s32;s32;s32;s3;s4;s36s37;s36;s37;s38;s38;s1;s10;s12;s43;s46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.2022949 0.0891359 0.0689143</array>
                  </module>
               </module>
               <module cmlx:templateRef="l302">
                  <module cmlx:templateRef="l302.basis2">
                     <list cmlx:templateRef="basis">
                        <array dataType="xsd:string" dictRef="g:basis" size="5">Precomputing XC quadrature grid using</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="10">IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="9">Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="10">NSgBfM= 624 628 629 629 629 MxSgAt= 47 MxSgA2= 47.</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l302">
                  <module cmlx:templateRef="l302.basis">
                     <list cmlx:templateRef="basis">
                        <array dataType="xsd:string" dictRef="g:basis" size="11">NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="8">NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="5">One-electron integrals computed using PRISM.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="6">1 Symmetry operations used in ECPInt.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="9">ECPInt: NShTT= 18915 NPrTT= 106678 LenC2= 15838 LenP2D= 50495.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="6">LDataN: DoStor=T MaxTD1= 6 Len= 172</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="8">NBasis= 602 RedAO= T EigKep= 1.52D-04 NBF= 602</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 602 1.00D-06 EigRej= -1.00D+00 NBFU= 602</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l302.basis2">
                     <list cmlx:templateRef="basis">
                        <array dataType="xsd:string" dictRef="g:basis" size="5">Precomputing XC quadrature grid using</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="10">IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="9">Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="10">NSgBfM= 628 629 629 629 629 MxSgAt= 47 MxSgA2= 47.</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l303.basis">
                  <list cmlx:templateRef="l303">
                     <scalar dataType="xsd:integer" dictRef="g:dipdrv">1</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l401"/>
               <module cmlx:templateRef="l502">
                  <scalar dataType="xsd:string" dictRef="g:l502.type">open</scalar>
                  <module cmlx:templateRef="l502.cycle">
                     <list cmlx:templateRef="cycle">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="cc:cycle">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:pass">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:idiag">1</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="l502.e">
                        <list cmlx:templateRef="l502.e">
                           <scalar dataType="xsd:double" dictRef="g:l502.e">-2569.82905631197</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.05020928415</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.221152972183</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2569.67202038010</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.378188904048</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2567.27850371626</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">2.393516663840</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.62871062161</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-3.350206905348</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.42464916607</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.204061455539</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.92939366823</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.504744502161</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94437904234</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.014985374105</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94666272234</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.002283679998</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94734177501</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000679052677</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94741132825</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000069553239</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94746922417</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000057895922</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94749883594</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000029611771</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94751199650</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000013160557</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94751520952</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000003213023</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94751704248</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000001832961</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94751823733</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000001194846</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94751856835</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000331022</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94751860729</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000038937</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94751862242</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000015136</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94751863550</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000013079</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94751864353</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000008024</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94751864552</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001991</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94751864614</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000622</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94751864645</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000311</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94751864652</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000065</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94751864654</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000020</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94751864656</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000022</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94751864655</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000005</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94751864657</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000018</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.94751864655</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000022</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <module cmlx:templateRef="l502.footer">
                     <list cmlx:templateRef="scfdone">
                        <list>
                           <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-2570.94751865</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">31</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="ssquared">
                        <list cmlx:templateRef="ssquared">
                           <scalar dataType="xsd:double" dictRef="g:ssquared">2.0401</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">2.505213564886e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-1.471903427423e+04</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">5.321985387133e+03</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <list cmlx:templateRef="l502">
                     <scalar dataType="xsd:string" dictRef="g:l502">Using DIIS extrapolation, IDIIS=  1040.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Integral symmetry usage will be decided dynamically.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=     1269920 IEndB=     1269920 NGot= 13421772800 MDV= 13420927203</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX= 13420927203 LenY= 13420519521</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on MAX density matrix=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on             energy=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">No special actions if energy rises.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Fock matrices will be formed incrementally for  20 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502"/>
                  </list>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0401</scalar>
               </module>
               <module cmlx:templateRef="l601.fermi">
                  <list cmlx:templateRef="fermi.atom">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="47">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</array>
                     <array dataType="xsd:string" dictRef="x:elementType" size="47">Fe N N N N C C C C C H C H C C O C H H H C H H H C C O C H H H C H H H C C C O O F F O Cl Cl O H</array>
                     <array dataType="xsd:integer" dictRef="x:isotopeNumber" size="47">57 14 14 14 14 13 13 13 13 13 1 13 1 13 13 17 13 1 1 1 13 1 1 1 13 13 17 13 1 1 1 13 1 1 1 13 13 13 17 17 19 19 17 35 35 17 1</array>
                     <array dataType="xsd:double" dictRef="cc:coupling" size="47">0.00001 0.00027 0.00747 0.00393 -0.00128 -0.00014 -0.00267 0.00110 0.00260 0.00115 -0.00004 -0.00127 -0.00022 -0.00169 0.00056 0.00238 0.00161 -0.00001 0.00012 -0.00005 -0.00023 -0.00012 -0.00000 -0.00001 -0.00033 -0.00241 0.00284 0.00167 0.00005 -0.00007 -0.00009 0.00061 -0.00005 -0.00008 -0.00003 -0.00036 -0.00114 -0.00060 0.00551 0.00754 0.00003 0.00038 0.07509 0.00038 -0.00001 0.00446 -0.00142</array>
                     <array dataType="xsd:double" dictRef="cc:coupling" size="47">0.00056 0.04282 1.20613 0.63415 -0.20617 -0.07998 -1.50203 0.61716 1.46352 0.64852 -0.08683 -0.71585 -0.49049 -0.94750 0.31393 -0.72055 0.90710 -0.02582 0.27127 -0.11396 -0.12908 -0.26356 -0.00951 -0.02620 -0.18425 -1.35497 -0.86133 0.93682 0.10926 -0.15270 -0.19363 0.34077 -0.11644 -0.18084 -0.06882 -0.20504 -0.64054 -0.33821 -1.67035 -2.28523 0.05869 0.79971 -22.76111 0.08282 -0.00269 -1.35234 -3.17339</array>
                     <array dataType="xsd:double" dictRef="cc:coupling" size="47">0.00020 0.01528 0.43038 0.22628 -0.07357 -0.02854 -0.53596 0.22022 0.52222 0.23141 -0.03098 -0.25543 -0.17502 -0.33809 0.11202 -0.25711 0.32368 -0.00921 0.09680 -0.04066 -0.04606 -0.09405 -0.00339 -0.00935 -0.06575 -0.48349 -0.30734 0.33428 0.03899 -0.05449 -0.06909 0.12159 -0.04155 -0.06453 -0.02456 -0.07317 -0.22856 -0.12068 -0.59602 -0.81543 0.02094 0.28535 -8.12173 0.02955 -0.00096 -0.48255 -1.13235</array>
                     <array dataType="xsd:double" dictRef="cc:coupling" size="47">0.00019 0.01428 0.40232 0.21153 -0.06877 -0.02668 -0.50102 0.20586 0.48818 0.21632 -0.02896 -0.23878 -0.16361 -0.31605 0.10472 -0.24035 0.30258 -0.00861 0.09049 -0.03801 -0.04306 -0.08792 -0.00317 -0.00874 -0.06146 -0.45197 -0.28731 0.31249 0.03644 -0.05093 -0.06459 0.11367 -0.03884 -0.06032 -0.02296 -0.06840 -0.21366 -0.11282 -0.55717 -0.76227 0.01958 0.26675 -7.59229 0.02762 -0.00090 -0.45109 -1.05853</array>
                  </list>
                  <list cmlx:templateRef="fermi.spindipole">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="47">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</array>
                     <array dataType="xsd:double" dictRef="g:spindipole.xx" size="47">-1.131319 -0.011159 -0.025786 -0.047833 -0.045784 0.019510 0.025173 0.004617 -0.001004 0.000205 0.002947 0.006309 0.002519 -0.007405 -0.008155 -0.021300 -0.004714 -0.001204 -0.002322 -0.004383 -0.003300 -0.002326 -0.001672 -0.004453 -0.010358 -0.007551 -0.029275 -0.005554 -0.002392 -0.001019 -0.004419 -0.004259 -0.001628 -0.002384 -0.004723 0.009490 0.008683 0.016414 -0.056319 -0.088793 0.007781 0.008014 0.772380 -0.003065 0.003093 0.053580 -0.012770</array>
                     <array dataType="xsd:double" dictRef="g:spindipole.yy" size="47">-0.994291 0.002295 0.015757 0.001846 -0.010925 -0.008862 -0.002760 -0.004546 -0.009849 -0.005550 -0.000042 0.000746 0.000291 0.015809 0.010395 -0.043732 0.008834 0.004401 0.004958 0.006876 0.005082 0.003194 0.002503 0.001537 0.009094 0.014392 -0.055622 0.009375 0.005131 0.004407 0.007596 0.003703 0.001690 0.002715 0.000195 -0.005678 -0.006456 -0.007847 -0.023908 -0.026217 -0.004085 -0.004505 -0.412024 -0.004527 0.000852 0.075360 -0.008239</array>
                     <array dataType="xsd:double" dictRef="g:spindipole.zz" size="47">2.125610 0.008864 0.010029 0.045987 0.056709 -0.010648 -0.022413 -0.000071 0.010853 0.005345 -0.002905 -0.007055 -0.002810 -0.008404 -0.002240 0.065032 -0.004120 -0.003197 -0.002637 -0.002493 -0.001782 -0.000868 -0.000831 0.002916 0.001263 -0.006841 0.084897 -0.003822 -0.002739 -0.003387 -0.003178 0.000556 -0.000063 -0.000331 0.004529 -0.003812 -0.002227 -0.008567 0.080227 0.115010 -0.003696 -0.003509 -0.360355 0.007592 -0.003945 -0.128940 0.021009</array>
                  </list>
                  <list cmlx:templateRef="fermi.spindipole">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="47">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</array>
                     <array dataType="xsd:double" dictRef="g:spindipole.xy" size="47">-0.062108 -0.037772 0.054759 -0.048248 0.031930 -0.009544 0.009785 -0.003908 0.003118 -0.000837 -0.003408 0.000654 0.003442 0.006244 -0.012817 -0.017335 0.003928 0.003045 0.000265 0.002194 0.001504 0.000242 0.002423 0.000994 0.012273 -0.006205 0.018960 -0.004697 -0.000265 -0.003065 -0.002937 -0.001615 -0.002344 -0.000138 -0.000833 0.010103 -0.010153 0.000324 -0.012595 0.009824 0.000117 0.000544 0.031535 -0.000007 0.001454 0.014264 0.001056</array>
                     <array dataType="xsd:double" dictRef="g:spindipole.xz" size="47">0.289809 -0.078912 0.053615 0.058829 -0.088497 0.003471 0.000420 0.008085 0.009051 -0.000195 0.000548 0.000298 0.000804 -0.000771 0.001359 -0.014026 0.001160 0.000023 0.000122 0.000715 -0.000638 -0.000098 -0.001439 -0.001060 0.002588 -0.001083 -0.013450 0.001478 0.000176 -0.000447 0.000312 -0.001041 -0.001748 -0.000163 -0.000972 -0.013562 -0.013850 0.000176 -0.056283 -0.047287 -0.000717 0.008138 0.035513 -0.000203 0.002545 0.040502 -0.008277</array>
                     <array dataType="xsd:double" dictRef="g:spindipole.yz" size="47">-0.053590 0.081881 0.083011 -0.105636 -0.110901 0.004199 -0.000512 -0.003660 0.003297 -0.000843 -0.000467 -0.000289 0.000638 -0.003843 -0.010389 -0.036527 0.003750 0.000866 0.000373 0.004605 -0.005112 -0.003152 -0.003573 -0.007258 0.012869 0.004765 0.035582 -0.004508 0.000338 -0.000128 -0.003105 0.006987 0.004138 0.003604 0.007268 0.001842 -0.003834 0.000146 0.058812 -0.093068 0.000001 -0.000441 -0.045233 -0.000254 0.000421 -0.069647 -0.006356</array>
                  </list>
               </module>
               <module cmlx:templateRef="l601.anisospin">
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.9497 0.303 -0.0785 -0.3003 0.9528 0.0445 0.0883 -0.0187 0.9959</matrix>
                     <vector3 dictRef="g:coupling.au">-1.1751 -0.9772 2.1523</vector3>
                     <vector3 dictRef="g:coupling.mhz">-20.344 -16.918 37.262</vector3>
                     <vector3 dictRef="g:coupling.g">-7.259 -6.037 13.296</vector3>
                     <vector3 dictRef="g:coupling.ten">-6.786 -5.643 12.429</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">1</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">Fe</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">57</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.5131 -0.432 0.7417 0.6973 0.7137 -0.0667 -0.5005 0.5514 0.6674</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0934 -0.0423 0.1357</vector3>
                     <vector3 dictRef="g:coupling.mhz">-3.603 -1.63 5.233</vector3>
                     <vector3 dictRef="g:coupling.g">-1.286 -0.582 1.867</vector3>
                     <vector3 dictRef="g:coupling.ten">-1.202 -0.544 1.746</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">2</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">N</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">14</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0565 -0.6747 0.7359 0.8988 -0.3553 -0.2568 0.4348 0.6469 0.6265</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0702 -0.0628 0.133</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.707 -2.42 5.128</vector3>
                     <vector3 dictRef="g:coupling.g">-0.966 -0.864 1.83</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.903 -0.807 1.71</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">3</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">N</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">14</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.0364 0.7836 0.6202 0.9382 0.1869 -0.2913 0.3442 -0.5925 0.7283</matrix>
                     <vector3 dictRef="g:coupling.au">-0.084 -0.0757 0.1597</vector3>
                     <vector3 dictRef="g:coupling.mhz">-3.24 -2.92 6.16</vector3>
                     <vector3 dictRef="g:coupling.g">-1.156 -1.042 2.198</vector3>
                     <vector3 dictRef="g:coupling.ten">-1.081 -0.974 2.055</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">4</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">N</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">14</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.591 0.5001 0.633 0.7114 -0.693 -0.1167 -0.3803 -0.5193 0.7654</matrix>
                     <vector3 dictRef="g:coupling.au">-0.1135 -0.0624 0.1759</vector3>
                     <vector3 dictRef="g:coupling.mhz">-4.379 -2.406 6.785</vector3>
                     <vector3 dictRef="g:coupling.g">-1.563 -0.858 2.421</vector3>
                     <vector3 dictRef="g:coupling.ten">-1.461 -0.802 2.263</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">5</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">N</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">14</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.2509 0.6984 -0.6703 0.1442 0.6578 0.7393 0.9572 -0.2822 0.0644</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0163 -0.0062 0.0226</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.19 -0.837 3.027</vector3>
                     <vector3 dictRef="g:coupling.g">-0.782 -0.299 1.08</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.731 -0.279 1.01</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">6</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0158 0.0339 0.9993 -0.3004 0.9531 -0.037 0.9537 0.3007 0.0049</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0224 -0.0058 0.0283</vector3>
                     <vector3 dictRef="g:coupling.mhz">-3.011 -0.782 3.792</vector3>
                     <vector3 dictRef="g:coupling.g">-1.074 -0.279 1.353</vector3>
                     <vector3 dictRef="g:coupling.ten">-1.004 -0.261 1.265</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">7</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.2395 0.6987 0.6741 0.6081 0.6492 -0.4569 0.7569 -0.3005 0.5804</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0067 -0.0056 0.0124</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.904 -0.755 1.66</vector3>
                     <vector3 dictRef="g:coupling.g">-0.323 -0.27 0.592</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.302 -0.252 0.554</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">8</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.2759 0.9607 -0.0309 0.8348 0.2235 -0.5032 0.4765 0.1646 0.8636</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0108 -0.0056 0.0165</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.456 -0.755 2.211</vector3>
                     <vector3 dictRef="g:coupling.g">-0.52 -0.269 0.789</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.486 -0.252 0.737</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">9</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.1415 0.9869 0.0776 0.9896 -0.1431 0.0145 -0.0254 -0.0747 0.9969</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0057 3.0E-4 0.0054</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.77 0.043 0.726</vector3>
                     <vector3 dictRef="g:coupling.g">-0.275 0.015 0.259</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.257 0.014 0.242</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">10</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0028 0.154 0.9881 0.5527 0.8237 -0.1268 0.8334 -0.5458 0.0874</matrix>
                     <vector3 dictRef="g:coupling.au">-0.003 -0.0023 0.0052</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.59 -1.204 2.794</vector3>
                     <vector3 dictRef="g:coupling.g">-0.567 -0.43 0.997</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.53 -0.402 0.932</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">11</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0241 0.039 0.9989 -0.1133 0.9927 -0.0415 0.9933 0.1141 0.0195</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0071 7.0E-4 0.0064</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.949 0.092 0.857</vector3>
                     <vector3 dictRef="g:coupling.g">-0.339 0.033 0.306</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.317 0.031 0.286</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">12</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0687 -0.1222 0.9901 -0.5938 0.8025 0.0579 0.8016 0.584 0.1277</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0029 -0.0022 0.0052</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.571 -1.179 2.75</vector3>
                     <vector3 dictRef="g:coupling.g">-0.561 -0.421 0.981</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.524 -0.393 0.917</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">13</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.6531 0.272 0.7067 0.718 -0.0741 0.6921 0.2406 0.9594 -0.1469</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0092 -0.0088 0.018</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.231 -1.18 2.411</vector3>
                     <vector3 dictRef="g:coupling.g">-0.439 -0.421 0.86</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.411 -0.394 0.804</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">14</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.7993 0.5136 0.312 -0.4626 0.1946 0.8649 -0.3835 0.8357 -0.3932</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0159 -0.0053 0.0212</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.128 -0.712 2.84</vector3>
                     <vector3 dictRef="g:coupling.g">-0.759 -0.254 1.013</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.71 -0.237 0.947</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">15</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.4331 0.8544 0.2872 0.8971 -0.4396 -0.045 -0.0878 -0.2771 0.9568</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0648 -0.0121 0.0769</vector3>
                     <vector3 dictRef="g:coupling.mhz">4.689 0.876 -5.564</vector3>
                     <vector3 dictRef="g:coupling.g">1.673 0.312 -1.985</vector3>
                     <vector3 dictRef="g:coupling.ten">1.564 0.292 -1.856</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">16</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">O</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">17</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.9574 -0.2049 -0.2035 0.1383 -0.2933 0.946 0.2535 0.9338 0.2525</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0058 -0.0051 0.0109</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.778 -0.686 1.465</vector3>
                     <vector3 dictRef="g:coupling.g">-0.278 -0.245 0.523</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.26 -0.229 0.489</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">17</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.294 -0.2183 0.9305 0.8694 -0.3433 -0.3552 0.397 0.9135 0.0889</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0034 -0.0024 0.0058</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.81 -1.289 3.099</vector3>
                     <vector3 dictRef="g:coupling.g">-0.646 -0.46 1.106</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.604 -0.43 1.034</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">18</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.2915 -0.0365 0.9559 0.9559 -0.0498 0.2896 0.037 0.9981 0.0494</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0027 -0.0023 0.005</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.434 -1.226 2.66</vector3>
                     <vector3 dictRef="g:coupling.g">-0.512 -0.438 0.949</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.478 -0.409 0.887</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">19</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.9265 -0.2747 0.2573 -0.337 -0.301 0.8921 0.1676 0.9132 0.3714</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0048 -0.0043 0.0092</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.58 -2.303 4.883</vector3>
                     <vector3 dictRef="g:coupling.g">-0.921 -0.822 1.742</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.861 -0.768 1.629</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">20</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.1414 0.4821 0.8647 0.9797 -0.0572 0.1921 0.1421 0.8743 -0.4642</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0045 -0.0035 0.008</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.608 -0.471 1.079</vector3>
                     <vector3 dictRef="g:coupling.g">-0.217 -0.168 0.385</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.203 -0.157 0.36</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">21</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.1153 0.479 0.8702 0.9927 0.024 0.1183 0.0358 0.8775 -0.4783</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0026 -0.0023 0.0049</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.382 -1.244 2.626</vector3>
                     <vector3 dictRef="g:coupling.g">-0.493 -0.444 0.937</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.461 -0.415 0.876</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">22</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.1918 0.5836 0.7891 0.9164 -0.1813 0.3568 0.3513 0.7915 -0.5001</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0031 -0.0027 0.0058</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.666 -1.447 3.114</vector3>
                     <vector3 dictRef="g:coupling.g">-0.595 -0.516 1.111</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.556 -0.483 1.039</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">23</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0482 0.7422 0.6685 0.9936 -0.033 0.1082 -0.1024 -0.6694 0.7358</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0051 -0.0046 0.0097</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.702 -2.455 5.158</vector3>
                     <vector3 dictRef="g:coupling.g">-0.964 -0.876 1.84</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.901 -0.819 1.72</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">24</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.8296 -0.5054 0.2373 -0.4477 -0.348 0.8237 0.3337 0.7896 0.5149</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0171 -0.0056 0.0227</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.294 -0.749 3.043</vector3>
                     <vector3 dictRef="g:coupling.g">-0.819 -0.267 1.086</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.765 -0.25 1.015</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">25</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.9545 0.2745 -0.1162 0.1651 -0.1626 0.9728 -0.2481 0.9477 0.2005</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0092 -0.0078 0.017</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.235 -1.05 2.285</vector3>
                     <vector3 dictRef="g:coupling.g">-0.441 -0.374 0.815</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.412 -0.35 0.762</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">26</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.4338 0.8709 -0.231 0.8981 0.4384 -0.0337 -0.0719 0.2221 0.9724</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0745 -0.0195 0.094</vector3>
                     <vector3 dictRef="g:coupling.mhz">5.391 1.412 -6.803</vector3>
                     <vector3 dictRef="g:coupling.g">1.924 0.504 -2.428</vector3>
                     <vector3 dictRef="g:coupling.ten">1.798 0.471 -2.269</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">27</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">O</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">17</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.9633 0.2518 -0.0931 0.014 0.2993 0.9541 -0.2681 0.9203 -0.2848</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0069 -0.0052 0.0121</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.929 -0.7 1.629</vector3>
                     <vector3 dictRef="g:coupling.g">-0.332 -0.25 0.581</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.31 -0.233 0.543</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">28</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.3956 -0.052 0.917 0.9178 0.0146 0.3968 -0.0341 0.9985 0.0419</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0028 -0.0023 0.0052</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.512 -1.238 2.75</vector3>
                     <vector3 dictRef="g:coupling.g">-0.539 -0.442 0.981</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.504 -0.413 0.917</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">29</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.3366 0.1443 0.9305 0.8473 0.3848 -0.3661 -0.4109 0.9116 0.0073</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0036 -0.0022 0.0058</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.904 -1.184 3.088</vector3>
                     <vector3 dictRef="g:coupling.g">-0.679 -0.422 1.102</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.635 -0.395 1.03</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">30</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.9169 0.2793 0.2852 -0.3383 0.1646 0.9265 -0.2118 0.946 -0.2454</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0052 -0.0038 0.0091</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.783 -2.051 4.834</vector3>
                     <vector3 dictRef="g:coupling.g">-0.993 -0.732 1.725</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.928 -0.684 1.612</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">31</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.317 -0.6247 0.7136 0.9385 -0.0979 0.3312 -0.137 0.7747 0.6173</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0051 -0.0045 0.0096</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.684 -0.598 1.282</vector3>
                     <vector3 dictRef="g:coupling.g">-0.244 -0.213 0.458</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.228 -0.2 0.428</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">32</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.1458 -0.6611 0.736 0.9246 0.1737 0.3391 -0.352 0.7299 0.5859</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0034 -0.0027 0.0061</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.832 -1.445 3.277</vector3>
                     <vector3 dictRef="g:coupling.g">-0.654 -0.516 1.169</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.611 -0.482 1.093</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">33</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.1725 -0.5405 0.8234 0.9846 0.1178 -0.129 -0.0273 0.833 0.5526</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0027 -0.0024 0.0051</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.457 -1.269 2.727</vector3>
                     <vector3 dictRef="g:coupling.g">-0.52 -0.453 0.973</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.486 -0.423 0.91</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">34</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.2069 0.7947 -0.5706 0.9746 -0.1161 0.1917 -0.0861 0.5958 0.7985</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0052 -0.0048 0.0101</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.796 -2.569 5.365</vector3>
                     <vector3 dictRef="g:coupling.g">-0.998 -0.917 1.915</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.933 -0.857 1.79</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">35</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.5342 -0.5714 0.623 0.0737 0.7656 0.6391 0.8421 0.2955 -0.4511</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0171 -0.0032 0.0203</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.299 -0.425 2.724</vector3>
                     <vector3 dictRef="g:coupling.g">-0.82 -0.152 0.972</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.767 -0.142 0.909</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">36</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.525 0.6182 0.585 -0.1505 0.744 -0.6511 0.8377 -0.2538 -0.4836</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0187 -0.001 0.0198</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.51 -0.14 2.651</vector3>
                     <vector3 dictRef="g:coupling.g">-0.896 -0.05 0.946</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.837 -0.047 0.884</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">37</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0045 -0.189 0.982 -0.0145 0.9819 0.1889 0.9999 0.0134 0.0071</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0086 -0.0078 0.0164</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.153 -1.05 2.203</vector3>
                     <vector3 dictRef="g:coupling.g">-0.412 -0.375 0.786</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.385 -0.35 0.735</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">38</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.8889 -0.2251 0.3989 0.3466 0.8999 -0.2646 -0.2994 0.3735 0.878</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0784 -0.0461 0.1244</vector3>
                     <vector3 dictRef="g:coupling.mhz">5.672 3.332 -9.004</vector3>
                     <vector3 dictRef="g:coupling.g">2.024 1.189 -3.213</vector3>
                     <vector3 dictRef="g:coupling.ten">1.892 1.112 -3.004</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">39</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">O</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">17</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.9124 0.2646 0.3121 -0.3683 0.8634 0.3447 -0.1783 -0.4295 0.8853</matrix>
                     <vector3 dictRef="g:coupling.au">-0.1021 -0.0676 0.1697</vector3>
                     <vector3 dictRef="g:coupling.mhz">7.389 4.889 -12.278</vector3>
                     <vector3 dictRef="g:coupling.g">2.637 1.745 -4.381</vector3>
                     <vector3 dictRef="g:coupling.ten">2.465 1.631 -4.096</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">40</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">O</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">17</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0113 0.9996 -0.0243 0.0618 0.0249 0.9978 0.998 0.0098 -0.0621</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0041 -0.0037 0.0078</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.052 -1.878 3.931</vector3>
                     <vector3 dictRef="g:coupling.g">-0.732 -0.67 1.403</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.685 -0.627 1.311</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">41</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">F</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">19</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.4535 0.1889 0.871 0.0721 0.9818 -0.1755 0.8883 0.0168 0.4589</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0078 -0.0044 0.0122</vector3>
                     <vector3 dictRef="g:coupling.mhz">-3.938 -2.203 6.141</vector3>
                     <vector3 dictRef="g:coupling.g">-1.405 -0.786 2.191</vector3>
                     <vector3 dictRef="g:coupling.ten">-1.314 -0.735 2.049</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">42</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">F</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">19</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0372 0.8616 0.5062 -0.0132 -0.5069 0.8619 0.9992 0.0254 0.0303</matrix>
                     <vector3 dictRef="g:coupling.au">-0.44 -0.3343 0.7743</vector3>
                     <vector3 dictRef="g:coupling.mhz">31.835 24.189 -56.025</vector3>
                     <vector3 dictRef="g:coupling.g">11.36 8.631 -19.991</vector3>
                     <vector3 dictRef="g:coupling.ten">10.619 8.069 -18.688</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">43</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">O</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">17</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.0075 0.9997 0.0211 0.9998 -0.0079 0.0189 -0.019 -0.0209 0.9996</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0045 -0.0031 0.0076</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.237 -0.161 0.398</vector3>
                     <vector3 dictRef="g:coupling.g">-0.085 -0.057 0.142</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.079 -0.054 0.133</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">44</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">Cl</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">35</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.3095 0.0088 0.9509 -0.3587 0.925 -0.1253 0.8807 0.3798 0.2831</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0048 2.0E-4 0.0045</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.25 0.012 0.238</vector3>
                     <vector3 dictRef="g:coupling.g">-0.089 0.004 0.085</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.083 0.004 0.079</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">45</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">Cl</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">35</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.1978 0.2902 0.9363 0.9791 0.0126 0.2029 0.0471 0.9569 -0.2866</matrix>
                     <vector3 dictRef="g:coupling.au">-0.1591 0.0622 0.0969</vector3>
                     <vector3 dictRef="g:coupling.mhz">11.511 -4.498 -7.013</vector3>
                     <vector3 dictRef="g:coupling.g">4.107 -1.605 -2.503</vector3>
                     <vector3 dictRef="g:coupling.ten">3.84 -1.5 -2.339</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">46</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">O</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">17</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l716.dipole">
                  <array cmlx:templateRef="dipole"
                         dataType="xsd:double"
                         dictRef="x:d"
                         size="3">-3.21716007e+00 -2.19211600e-01 7.93428343e-01</array>
               </module>
               <module cmlx:templateRef="l716.forces">
                  <list cmlx:templateRef="force">
                     <array dataType="xsd:integer" dictRef="x:serial" size="47">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</array>
                     <array dataType="xsd:integer" dictRef="x:elementType" size="47">26 7 7 7 7 6 6 6 6 6 1 6 1 6 6 8 6 1 1 1 6 1 1 1 6 6 8 6 1 1 1 6 1 1 1 6 6 6 8 8 9 9 8 17 17 8 1</array>
                     <list>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002295616 -0.004283714 -0.025909854</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.007124230 0.005660930 -0.004234166</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001157858 -0.000946919 -0.000405040</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.003403774 0.002559420 -0.001471935</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.006244508 -0.004864941 -0.005979491</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.009431324 -0.007547700 -0.002110372</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.009997697 0.006921538 -0.000989443</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.005254451 0.000152859 0.002660813</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.005318557 -0.000111855 0.002326852</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002289654 -0.005923907 0.000289182</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000102956 0.000014155 -0.000334881</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002490441 0.005887360 0.000503913</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000081667 -0.000000728 -0.000399109</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001666479 -0.000301861 0.000241401</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001530579 -0.003669643 0.003709414</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001221076 0.001131717 -0.001126008</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000272601 -0.000120730 0.000517671</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000042228 -0.000046757 -0.000002713</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000120852 -0.000243627 -0.000136628</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000014388 0.000014085 -0.000009105</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000729934 -0.000656059 -0.000366807</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000130022 -0.000142934 0.000375648</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000015964 0.000071191 0.000006271</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000011144 0.000041256 0.000069814</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001372989 0.004190957 0.003882024</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002583679 0.000241117 0.000829464</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001239659 -0.001212014 -0.001338993</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000541481 0.000022709 0.000555107</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000109046 0.000333612 -0.000258107</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000044655 -0.000005949 -0.000063417</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000036329 0.000035729 -0.000110194</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000952487 0.001017897 -0.000629282</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000025354 -0.000025024 -0.000043435</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000163573 0.000188619 0.000517526</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000036419 -0.000019931 0.000057443</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.005560581 0.000971962 -0.001094836</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.009254584 -0.001466918 -0.000841739</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001050460 0.000341468 0.001492114</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002493473 -0.001954368 0.000781387</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004191288 0.003212587 0.001106367</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000743124 -0.000159057 -0.000166325</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000217691 -0.000207304 -0.000643669</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001252585 0.003823757 0.029071585</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000528122 0.000496397 -0.000434341</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000512087 -0.000490359 -0.000422002</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002003773 -0.003762241 0.001707446</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001417688 0.000833220 -0.001179549</array>
                     </list>
                  </list>
                  <list cmlx:templateRef="cartesianforce">
                     <scalar dataType="xsd:double" dictRef="cc:maxforce">0.029071585</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:rmsforce">0.004217969</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l716">
                  <list cmlx:templateRef="l716">
                     <scalar dataType="xsd:string" dictRef="g:l716">(Enter /ichec/packages/gaussian/09e01/l716.exe)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0561</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0887</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0919</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0897</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0901</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0899</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0889</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0880</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0881</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0880</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0882</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0883</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0884</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0885</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0887</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0888</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0887</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0884</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0884</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0887</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0883</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0898</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0884</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0896</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0922</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0901</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0904</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.2889</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0914</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0965</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0847</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0897</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0946</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0908</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0920</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0920</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0935</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0912</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0924</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0952</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0971</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0982</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0994</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.1007</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.1003</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0997</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.1003</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0987</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0976</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0969</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0974</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0978</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0987</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0994</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.0998</scalar>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.1001</scalar>
               </module>
               <module cmlx:templateRef="l502">
                  <scalar dataType="xsd:string" dictRef="g:l502.type">open</scalar>
                  <module cmlx:templateRef="l502.cycle">
                     <list cmlx:templateRef="cycle">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="cc:cycle">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:pass">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:idiag">1</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="l502.e">
                        <list cmlx:templateRef="l502.e">
                           <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.95726137026</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.95726209129</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000721026</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.95726202721</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000064082</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.95726207738</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000050169</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.95726210166</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000024283</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.95726210275</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001094</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.95726210308</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000327</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.95726210313</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000054</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.95726210320</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000062</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.95726210321</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000010</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.95726210319</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000014</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <module cmlx:templateRef="l502.footer">
                     <list cmlx:templateRef="scfdone">
                        <list>
                           <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-2570.95726210</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">11</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="ssquared">
                        <list cmlx:templateRef="ssquared">
                           <scalar dataType="xsd:double" dictRef="g:ssquared">2.1001</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">2.505227729476e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-1.469496224995e+04</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">5.309317099983e+03</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <list cmlx:templateRef="l502">
                     <scalar dataType="xsd:string" dictRef="g:l502">Using DIIS extrapolation, IDIIS=  1040.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Integral symmetry usage will be decided dynamically.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=     1269920 IEndB=     1269920 NGot= 13421772800 MDV= 13420927203</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX= 13420927203 LenY= 13420519521</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on MAX density matrix=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on             energy=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">No special actions if energy rises.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Fock matrices will be formed incrementally for  20 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502"/>
                  </list>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.1001</scalar>
               </module>
               <module cmlx:templateRef="l716">
                  <list cmlx:templateRef="l716">
                     <scalar dataType="xsd:string" dictRef="g:l716">(Enter /ichec/packages/gaussian/09e01/l716.exe)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l601.fermi">
                  <list cmlx:templateRef="fermi.atom">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="47">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</array>
                     <array dataType="xsd:string" dictRef="x:elementType" size="47">Fe N N N N C C C C C H C H C C O C H H H C H H H C C O C H H H C H H H C C C O O F F O Cl Cl O H</array>
                     <array dataType="xsd:integer" dictRef="x:isotopeNumber" size="47">57 14 14 14 14 13 13 13 13 13 1 13 1 13 13 17 13 1 1 1 13 1 1 1 13 13 17 13 1 1 1 13 1 1 1 13 13 13 17 17 19 19 17 35 35 17 1</array>
                     <array dataType="xsd:double" dictRef="cc:coupling" size="47">0.00001 -0.00018 -0.00242 0.00321 -0.00090 -0.00265 0.00023 0.00262 0.00123 -0.00161 -0.00016 0.00083 0.00001 -0.00172 0.00103 0.00420 0.00200 -0.00004 0.00013 -0.00003 -0.00066 -0.00024 -0.00002 -0.00001 0.00168 -0.00128 0.00255 0.00012 -0.00005 -0.00001 -0.00004 -0.00082 0.00003 -0.00026 0.00001 0.00057 0.00211 -0.00074 0.00525 0.00457 -0.00009 -0.00008 0.03374 -0.00016 0.00025 -0.00158 0.00175</array>
                     <array dataType="xsd:double" dictRef="cc:coupling" size="47">0.00065 -0.02834 -0.39104 0.51937 -0.14494 -1.48694 0.12984 1.47146 0.69101 -0.90707 -0.36675 0.46558 0.03281 -0.96837 0.57929 -1.27355 1.12455 -0.08602 0.27947 -0.06140 -0.37027 -0.52908 -0.05530 -0.01261 0.94385 -0.71878 -0.77256 0.06957 -0.10712 -0.02892 -0.09544 -0.45841 0.07760 -0.57561 0.01421 0.31908 1.18543 -0.41739 -1.59004 -1.38413 -0.18359 -0.16667 -10.22661 -0.03486 0.05499 0.48023 3.90485</array>
                     <array dataType="xsd:double" dictRef="cc:coupling" size="47">0.00023 -0.01011 -0.13953 0.18532 -0.05172 -0.53058 0.04633 0.52505 0.24657 -0.32367 -0.13086 0.16613 0.01171 -0.34554 0.20671 -0.45443 0.40127 -0.03069 0.09972 -0.02191 -0.13212 -0.18879 -0.01973 -0.00450 0.33679 -0.25648 -0.27567 0.02483 -0.03822 -0.01032 -0.03406 -0.16357 0.02769 -0.20539 0.00507 0.11386 0.42299 -0.14894 -0.56737 -0.49389 -0.06551 -0.05947 -3.64911 -0.01244 0.01962 0.17136 1.39335</array>
                     <array dataType="xsd:double" dictRef="cc:coupling" size="47">0.00022 -0.00945 -0.13044 0.17324 -0.04835 -0.49599 0.04331 0.49083 0.23050 -0.30257 -0.12233 0.15530 0.01095 -0.32301 0.19323 -0.42481 0.37511 -0.02869 0.09322 -0.02048 -0.12351 -0.17648 -0.01845 -0.00421 0.31483 -0.23976 -0.25770 0.02321 -0.03573 -0.00965 -0.03184 -0.15291 0.02588 -0.19200 0.00474 0.10643 0.39542 -0.13923 -0.53038 -0.46170 -0.06124 -0.05560 -3.41123 -0.01163 0.01834 0.16019 1.30252</array>
                  </list>
                  <list cmlx:templateRef="fermi.spindipole">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="47">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</array>
                     <array dataType="xsd:double" dictRef="g:spindipole.xx" size="47">-1.484031 -0.045563 -0.018702 -0.008309 -0.002541 0.028701 0.023755 0.001937 0.007467 0.008859 0.003098 0.002871 0.003404 -0.007835 -0.011791 -0.036994 -0.004820 -0.001248 -0.002476 -0.004862 -0.003072 -0.002457 -0.001591 -0.004485 -0.010841 -0.007520 -0.021368 -0.004171 -0.002630 -0.001383 -0.004687 -0.002659 -0.001667 -0.002488 -0.004396 0.007999 0.011425 0.018482 -0.061237 -0.034578 0.008106 0.009857 0.235901 0.008102 0.001996 0.031420 -0.010271</array>
                     <array dataType="xsd:double" dictRef="g:spindipole.yy" size="47">-1.011377 -0.027857 0.013487 0.029502 0.011855 -0.001686 -0.007583 -0.008113 -0.003214 0.002879 0.000054 -0.003233 -0.000298 0.017553 0.011133 -0.075983 0.009635 0.004717 0.005403 0.007359 0.005369 0.003460 0.002718 0.001565 0.009454 0.017453 -0.055213 0.007304 0.005432 0.004768 0.008067 0.004838 0.002535 0.003302 0.001293 -0.007716 -0.008894 -0.008988 -0.025263 -0.018411 -0.004847 -0.007773 0.095105 0.004603 -0.000865 0.052781 -0.004988</array>
                     <array dataType="xsd:double" dictRef="g:spindipole.zz" size="47">2.495409 0.073420 0.005215 -0.021193 -0.009314 -0.027015 -0.016172 0.006177 -0.004253 -0.011737 -0.003151 0.000362 -0.003106 -0.009718 0.000658 0.112977 -0.004815 -0.003469 -0.002928 -0.002497 -0.002296 -0.001002 -0.001128 0.002920 0.001387 -0.009933 0.076581 -0.003133 -0.002802 -0.003385 -0.003380 -0.002179 -0.000868 -0.000814 0.003103 -0.000284 -0.002532 -0.009494 0.086500 0.052989 -0.003260 -0.002084 -0.331007 -0.012704 -0.001130 -0.084201 0.015259</array>
                  </list>
                  <list cmlx:templateRef="fermi.spindipole">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="47">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</array>
                     <array dataType="xsd:double" dictRef="g:spindipole.xy" size="47">0.069072 -0.021601 0.041678 -0.058770 0.039705 -0.010373 0.009936 -0.004114 0.004515 -0.000619 -0.003751 0.000870 0.003783 0.007799 -0.013971 -0.020730 0.004232 0.003392 0.000457 0.002142 0.001910 0.000561 0.002739 0.001540 0.014684 -0.007870 0.022883 -0.003019 -0.000560 -0.003497 -0.002554 -0.001765 -0.002685 -0.000545 -0.001317 0.012230 -0.009284 0.000043 -0.005916 0.017088 0.000044 -0.001815 0.361403 -0.002154 0.000690 0.027999 -0.002035</array>
                     <array dataType="xsd:double" dictRef="g:spindipole.xz" size="47">0.272397 -0.098950 0.044991 0.047918 -0.073955 -0.001621 0.004948 0.010062 0.007319 -0.000263 0.000500 -0.000498 0.000503 -0.001540 0.000549 -0.032259 0.001189 0.000274 0.000196 0.001020 -0.000745 -0.000283 -0.001563 -0.001762 0.000308 -0.001870 -0.023435 0.000914 0.000075 0.000191 0.001022 -0.000838 -0.001602 -0.000184 -0.001557 -0.012108 -0.016658 0.000751 -0.047966 -0.062383 0.000187 0.005054 0.277982 0.003628 0.000249 0.147819 -0.002789</array>
                     <array dataType="xsd:double" dictRef="g:spindipole.yz" size="47">0.110177 0.115114 0.078667 -0.070908 -0.082130 0.001876 -0.006059 -0.004665 0.003579 0.000836 -0.000382 0.000590 0.000406 -0.003935 -0.015513 -0.049314 0.003751 0.001195 0.000651 0.005828 -0.004874 -0.003429 -0.003577 -0.007760 0.011552 0.006112 0.034266 -0.003104 -0.000483 -0.001018 -0.005841 0.004324 0.003599 0.003417 0.007481 0.003095 -0.002351 -0.000044 0.053081 -0.045091 0.000118 -0.001692 -0.159979 -0.000290 -0.000068 -0.131746 -0.015880</array>
                  </list>
               </module>
               <module cmlx:templateRef="l601.anisospin">
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.9903 -0.123 -0.064 0.1206 0.9919 -0.0406 0.0684 0.0325 0.9971</matrix>
                     <vector3 dictRef="g:coupling.au">-1.5102 -1.0075 2.5177</vector3>
                     <vector3 dictRef="g:coupling.mhz">-26.146 -17.442 43.588</vector3>
                     <vector3 dictRef="g:coupling.g">-9.33 -6.224 15.553</vector3>
                     <vector3 dictRef="g:coupling.ten">-8.721 -5.818 14.54</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">1</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">Fe</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">57</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.5682 -0.5636 0.5996 0.7289 0.6829 -0.0489 -0.3819 0.4648 0.7988</matrix>
                     <vector3 dictRef="g:coupling.au">-0.1286 -0.0592 0.1877</vector3>
                     <vector3 dictRef="g:coupling.mhz">-4.958 -2.282 7.24</vector3>
                     <vector3 dictRef="g:coupling.g">-1.769 -0.814 2.583</vector3>
                     <vector3 dictRef="g:coupling.ten">-1.654 -0.761 2.415</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">2</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">N</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">14</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.1415 -0.6406 0.7547 0.8992 -0.402 -0.1726 0.414 0.6543 0.6329</matrix>
                     <vector3 dictRef="g:coupling.au">-0.07 -0.046 0.116</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.699 -1.773 4.472</vector3>
                     <vector3 dictRef="g:coupling.g">-0.963 -0.633 1.596</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.9 -0.591 1.492</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">3</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">N</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">14</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.1982 0.4808 0.8541 0.8434 0.5276 -0.1013 -0.4994 0.7003 -0.5101</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0722 -0.0508 0.1231</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.786 -1.96 4.746</vector3>
                     <vector3 dictRef="g:coupling.g">-0.994 -0.7 1.694</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.929 -0.654 1.583</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">4</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">N</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">14</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.4358 0.438 0.7863 0.7375 -0.6746 -0.0329 -0.516 -0.5942 0.617</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0961 -0.0356 0.1316</vector3>
                     <vector3 dictRef="g:coupling.mhz">-3.705 -1.371 5.076</vector3>
                     <vector3 dictRef="g:coupling.g">-1.322 -0.489 1.811</vector3>
                     <vector3 dictRef="g:coupling.ten">-1.236 -0.457 1.693</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">5</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">N</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">14</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.0166 -0.0667 0.9976 0.2978 0.9528 0.0588 0.9545 -0.2961 -0.0356</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0272 -0.0048 0.032</vector3>
                     <vector3 dictRef="g:coupling.mhz">-3.646 -0.646 4.291</vector3>
                     <vector3 dictRef="g:coupling.g">-1.301 -0.23 1.531</vector3>
                     <vector3 dictRef="g:coupling.ten">-1.216 -0.215 1.431</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">6</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.2061 0.5195 0.8293 -0.1812 0.8125 -0.554 0.9616 0.2645 0.0733</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0212 -0.0057 0.0269</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.845 -0.761 3.605</vector3>
                     <vector3 dictRef="g:coupling.g">-1.015 -0.271 1.286</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.949 -0.254 1.203</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">7</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.2117 0.9659 0.1493 0.7618 -0.0674 -0.6443 0.6122 -0.2501 0.7501</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0097 -0.0062 0.0159</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.306 -0.833 2.14</vector3>
                     <vector3 dictRef="g:coupling.g">-0.466 -0.297 0.763</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.436 -0.278 0.714</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">8</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.3113 -0.3493 0.8838 -0.4406 0.877 0.1915 0.842 0.3298 0.4269</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0082 -0.0047 0.0129</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.106 -0.631 1.737</vector3>
                     <vector3 dictRef="g:coupling.g">-0.395 -0.225 0.62</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.369 -0.21 0.579</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">9</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.011 -0.0564 0.9983 0.1049 0.993 0.055 0.9944 -0.1042 -0.0169</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0118 0.0029 0.0089</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.582 0.384 1.198</vector3>
                     <vector3 dictRef="g:coupling.g">-0.564 0.137 0.428</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.528 0.128 0.4</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">10</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0301 0.0824 0.9961 0.5611 0.8261 -0.0514 0.8272 -0.5574 0.0711</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0032 -0.0025 0.0057</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.706 -1.318 3.024</vector3>
                     <vector3 dictRef="g:coupling.g">-0.609 -0.47 1.079</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.569 -0.44 1.009</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">11</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.1471 0.9745 -0.1693 0.1304 0.1888 0.9733 0.9805 0.1211 -0.1548</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0035 4.0E-4 0.0031</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.465 0.055 0.41</vector3>
                     <vector3 dictRef="g:coupling.g">-0.166 0.02 0.146</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.155 0.018 0.137</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">12</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.0209 -0.1673 0.9857 -0.533 0.8322 0.1525 0.8458 0.5286 0.0718</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0032 -0.0026 0.0058</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.688 -1.412 3.1</vector3>
                     <vector3 dictRef="g:coupling.g">-0.602 -0.504 1.106</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.563 -0.471 1.034</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">13</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.5952 -0.0528 0.8019 0.7565 -0.2999 -0.5812 0.2712 0.9525 -0.1386</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0106 -0.0097 0.0203</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.423 -1.308 2.73</vector3>
                     <vector3 dictRef="g:coupling.g">-0.508 -0.467 0.974</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.475 -0.436 0.911</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">14</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.7816 0.5144 0.3529 -0.5435 0.2838 0.79 -0.3062 0.8092 -0.5014</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0207 -0.0053 0.026</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.783 -0.71 3.493</vector3>
                     <vector3 dictRef="g:coupling.g">-0.993 -0.253 1.246</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.928 -0.237 1.165</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">15</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.4159 0.8704 0.2635 0.8952 -0.4428 0.0498 -0.16 -0.2152 0.9634</matrix>
                     <vector3 dictRef="g:coupling.au">-0.1008 -0.0285 0.1294</vector3>
                     <vector3 dictRef="g:coupling.mhz">7.295 2.065 -9.36</vector3>
                     <vector3 dictRef="g:coupling.g">2.603 0.737 -3.34</vector3>
                     <vector3 dictRef="g:coupling.ten">2.433 0.689 -3.122</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">16</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">O</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">17</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.8799 -0.128 -0.4575 0.3997 -0.3211 0.8586 0.2568 0.9384 0.2314</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0061 -0.0057 0.0117</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.812 -0.76 1.572</vector3>
                     <vector3 dictRef="g:coupling.g">-0.29 -0.271 0.561</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.271 -0.254 0.525</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">17</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.1885 -0.2126 0.9588 0.8941 -0.3666 -0.2571 0.4062 0.9058 0.1209</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0037 -0.0027 0.0064</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.963 -1.45 3.413</vector3>
                     <vector3 dictRef="g:coupling.g">-0.701 -0.517 1.218</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.655 -0.484 1.139</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">18</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.2909 -0.058 0.955 0.9549 -0.0792 0.286 0.059 0.9952 0.0784</matrix>
                     <vector3 dictRef="g:coupling.au">-0.003 -0.0025 0.0055</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.615 -1.31 2.925</vector3>
                     <vector3 dictRef="g:coupling.g">-0.576 -0.467 1.044</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.539 -0.437 0.976</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">19</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.8598 0.0867 -0.5033 0.4871 -0.435 0.7573 0.1533 0.8963 0.4162</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0052 -0.0052 0.0104</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.798 -2.768 5.566</vector3>
                     <vector3 dictRef="g:coupling.g">-0.998 -0.988 1.986</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.933 -0.923 1.856</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">20</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.1279 0.4522 0.8827 0.9754 -0.104 0.1946 0.1798 0.8858 -0.4278</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0047 -0.0034 0.0081</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.629 -0.46 1.088</vector3>
                     <vector3 dictRef="g:coupling.g">-0.224 -0.164 0.388</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.21 -0.153 0.363</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">21</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0536 0.4797 0.8758 0.9954 -0.0446 0.0853 0.08 0.8763 -0.4751</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0029 -0.0025 0.0054</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.528 -1.337 2.865</vector3>
                     <vector3 dictRef="g:coupling.g">-0.545 -0.477 1.022</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.51 -0.446 0.956</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">22</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.136 0.5528 0.8221 0.9159 -0.2461 0.317 0.3776 0.7961 -0.4729</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0033 -0.0029 0.0061</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.747 -1.53 3.277</vector3>
                     <vector3 dictRef="g:coupling.g">-0.623 -0.546 1.169</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.583 -0.51 1.093</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">23</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.0771 0.7272 0.6821 0.9849 -0.1621 0.0615 -0.1552 -0.6671 0.7287</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0056 -0.0048 0.0104</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.962 -2.587 5.549</vector3>
                     <vector3 dictRef="g:coupling.g">-1.057 -0.923 1.98</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.988 -0.863 1.851</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">24</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.8168 -0.5122 0.2655 -0.448 -0.273 0.8514 0.3636 0.8143 0.4524</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0199 -0.0025 0.0224</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.677 -0.333 3.01</vector3>
                     <vector3 dictRef="g:coupling.g">-0.955 -0.119 1.074</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.893 -0.111 1.004</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">25</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.1206 -0.175 0.9772 0.9546 0.2906 -0.0658 -0.2724 0.9407 0.2021</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0113 -0.0098 0.021</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.511 -1.313 2.824</vector3>
                     <vector3 dictRef="g:coupling.g">-0.539 -0.469 1.008</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.504 -0.438 0.942</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">26</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.4535 0.853 -0.2583 0.876 0.48 0.0471 -0.1641 0.2049 0.9649</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0778 -0.0101 0.0878</vector3>
                     <vector3 dictRef="g:coupling.mhz">5.626 0.73 -6.356</vector3>
                     <vector3 dictRef="g:coupling.g">2.008 0.261 -2.268</vector3>
                     <vector3 dictRef="g:coupling.ten">1.877 0.244 -2.12</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">27</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">O</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">17</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.9689 0.2032 -0.141 0.0795 0.2841 0.9555 -0.2342 0.937 -0.2591</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0049 -0.004 0.0089</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.662 -0.534 1.197</vector3>
                     <vector3 dictRef="g:coupling.g">-0.236 -0.191 0.427</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.221 -0.178 0.399</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">28</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.2376 0.0405 0.9705 0.9689 0.0811 0.2339 -0.0692 0.9959 -0.0585</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0028 -0.0027 0.0055</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.516 -1.419 2.934</vector3>
                     <vector3 dictRef="g:coupling.g">-0.541 -0.506 1.047</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.506 -0.473 0.979</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">29</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.2954 0.2364 0.9257 0.8641 0.3471 -0.3644 -0.4075 0.9075 -0.1018</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0036 -0.0029 0.0065</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.912 -1.53 3.443</vector3>
                     <vector3 dictRef="g:coupling.g">-0.682 -0.546 1.228</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.638 -0.51 1.148</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">30</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.0686 0.3971 0.9152 0.9826 0.1319 -0.1309 -0.1727 0.9083 -0.3811</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0058 -0.0052 0.011</vector3>
                     <vector3 dictRef="g:coupling.mhz">-3.115 -2.756 5.871</vector3>
                     <vector3 dictRef="g:coupling.g">-1.111 -0.983 2.095</vector3>
                     <vector3 dictRef="g:coupling.ten">-1.039 -0.919 1.958</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">31</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0019 -0.4304 0.9027 0.9812 0.1733 0.0847 -0.1929 0.8859 0.4219</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0042 -0.003 0.0073</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.569 -0.408 0.977</vector3>
                     <vector3 dictRef="g:coupling.g">-0.203 -0.146 0.349</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.19 -0.136 0.326</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">32</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.2803 -0.603 0.7469 0.8839 0.1413 0.4458 -0.3744 0.7852 0.4933</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0032 -0.0029 0.0061</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.693 -1.55 3.242</vector3>
                     <vector3 dictRef="g:coupling.g">-0.604 -0.553 1.157</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.565 -0.517 1.081</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">33</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.3809 -0.478 0.7915 0.9218 -0.1291 0.3656 -0.0726 0.8688 0.4898</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0028 -0.0025 0.0053</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.488 -1.326 2.814</vector3>
                     <vector3 dictRef="g:coupling.g">-0.531 -0.473 1.004</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.496 -0.442 0.939</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">34</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0698 0.7402 -0.6687 0.9877 0.1454 0.0578 -0.14 0.6565 0.7413</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0053 -0.0047 0.01</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.85 -2.498 5.347</vector3>
                     <vector3 dictRef="g:coupling.g">-1.017 -0.891 1.908</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.951 -0.833 1.784</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">35</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.5312 0.7093 -0.4635 0.1764 0.6276 0.7583 0.8287 0.321 -0.4585</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0189 -5.0E-4 0.0194</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.536 -0.072 2.608</vector3>
                     <vector3 dictRef="g:coupling.g">-0.905 -0.026 0.931</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.846 -0.024 0.87</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">36</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.5149 0.6081 0.6043 -0.1893 0.7681 -0.6117 0.8361 -0.2006 -0.5106</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0191 -0.0047 0.0238</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.562 -0.635 3.197</vector3>
                     <vector3 dictRef="g:coupling.g">-0.914 -0.227 1.141</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.855 -0.212 1.066</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">37</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0268 0.0846 0.9961 8.0E-4 0.9964 -0.0846 0.9996 0.0015 0.0268</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0095 -0.009 0.0185</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.277 -1.206 2.483</vector3>
                     <vector3 dictRef="g:coupling.g">-0.456 -0.43 0.886</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.426 -0.402 0.828</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">38</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.9065 -0.2451 0.3438 0.3394 0.9073 -0.2481 -0.2511 0.3416 0.9057</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0778 -0.042 0.1198</vector3>
                     <vector3 dictRef="g:coupling.mhz">5.632 3.038 -8.67</vector3>
                     <vector3 dictRef="g:coupling.g">2.009 1.084 -3.094</vector3>
                     <vector3 dictRef="g:coupling.ten">1.878 1.014 -2.892</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">39</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">O</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">17</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.8514 0.1608 0.4992 -0.3156 0.9173 0.2429 -0.4189 -0.3644 0.8317</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0679 -0.0362 0.1042</vector3>
                     <vector3 dictRef="g:coupling.mhz">4.915 2.622 -7.537</vector3>
                     <vector3 dictRef="g:coupling.g">1.754 0.935 -2.689</vector3>
                     <vector3 dictRef="g:coupling.ten">1.64 0.874 -2.514</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">40</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">O</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">17</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0023 0.9973 -0.0737 -0.0167 0.0736 0.9971 0.9999 0.0035 0.0165</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0049 -0.0033 0.0081</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.439 -1.634 4.073</vector3>
                     <vector3 dictRef="g:coupling.g">-0.87 -0.583 1.453</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.813 -0.545 1.359</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">41</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">F</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">19</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.0298 0.9699 0.2417 -0.3657 -0.2145 0.9057 0.9303 -0.1154 0.3483</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0083 -0.0037 0.012</vector3>
                     <vector3 dictRef="g:coupling.mhz">-4.143 -1.871 6.014</vector3>
                     <vector3 dictRef="g:coupling.g">-1.478 -0.667 2.146</vector3>
                     <vector3 dictRef="g:coupling.ten">-1.382 -0.624 2.006</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">42</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">F</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">19</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.4552 0.4282 0.7807 -0.3925 0.6905 -0.6076 0.7992 0.583 0.1462</matrix>
                     <vector3 dictRef="g:coupling.au">-0.5808 0.0304 0.5504</vector3>
                     <vector3 dictRef="g:coupling.mhz">42.028 -2.201 -39.827</vector3>
                     <vector3 dictRef="g:coupling.g">14.997 -0.785 -14.211</vector3>
                     <vector3 dictRef="g:coupling.ten">14.019 -0.734 -13.285</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">43</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">O</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">17</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.1674 -0.0042 0.9859 0.3891 0.9185 0.07 0.9059 -0.3953 0.1522</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0133 0.0037 0.0097</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.697 0.192 0.505</vector3>
                     <vector3 dictRef="g:coupling.g">-0.249 0.068 0.18</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.233 0.064 0.168</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">44</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">Cl</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">35</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.1728 0.4986 0.8495 -0.1524 0.8385 -0.5231 0.9731 0.2198 0.0689</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0012 -9.0E-4 0.0022</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.064 -0.05 0.114</vector3>
                     <vector3 dictRef="g:coupling.g">-0.023 -0.018 0.041</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.021 -0.017 0.038</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">45</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">Cl</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">35</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.4705 0.3996 0.7867 0.6924 0.7199 0.0484 0.547 -0.5675 0.6154</matrix>
                     <vector3 dictRef="g:coupling.au">-0.2395 0.0709 0.1687</vector3>
                     <vector3 dictRef="g:coupling.mhz">17.332 -5.127 -12.205</vector3>
                     <vector3 dictRef="g:coupling.g">6.185 -1.83 -4.355</vector3>
                     <vector3 dictRef="g:coupling.ten">5.781 -1.71 -4.071</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">46</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">O</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">17</scalar>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT518821.400S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2019-01-25T04:37:41.000Z</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="132">-101.39083 -101.39064 -24.64109 -24.63907 -19.15391 -19.15133 -19.07157 -19.06992 -19.06492 -19.06374 -14.30803 -14.30443 -14.28856 -14.28827 -10.30026 -10.23822 -10.23724 -10.23666 -10.23623 -10.20578 -10.20519 -10.18728 -10.18682 -10.18023 -10.17956 -10.15015 -10.14973 -10.11277 -10.11232 -10.11226 -10.11177 -9.39398 -9.39378 -7.14383 -7.14365 -7.13323 -7.13301 -7.13264 -7.13245 -3.54861 -2.36752 -2.32660 -2.31546 -1.23695 -1.17884 -1.10375 -1.03043 -1.02778 -1.01990 -1.01871 -0.93859 -0.90086 -0.89953 -0.89068 -0.87835 -0.84851 -0.84369 -0.81086 -0.77989 -0.76457 -0.73520 -0.72242 -0.70854 -0.67078 -0.67073 -0.64902 -0.64440 -0.60975 -0.60500 -0.56652 -0.56577 -0.54051 -0.53393 -0.52501 -0.52239 -0.50650 -0.50161 -0.49434 -0.47335 -0.46994 -0.45887 -0.45433 -0.45314 -0.44980 -0.44576 -0.43930 -0.43529 -0.43250 -0.43060 -0.42488 -0.41877 -0.41834 -0.41517 -0.41058 -0.40479 -0.40080 -0.39913 -0.39634 -0.39390 -0.38734 -0.38259 -0.38002 -0.37270 -0.37045 -0.36786 -0.36516 -0.35466 -0.35332 -0.35079 -0.34691 -0.34489 -0.34141 -0.34118 -0.33007 -0.32828 -0.32369 -0.31425 -0.30863 -0.30264 -0.29933 -0.29538 -0.28329 -0.27608 -0.27096 -0.26549 -0.25987 -0.24905 -0.24449 -0.24252 -0.23825 -0.23291 -0.20914</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="470">-0.15784 -0.09137 -0.05188 -0.04720 -0.04000 -0.01835 -0.00042 0.00431 0.01231 0.01506 0.01625 0.02066 0.02340 0.02990 0.03343 0.04344 0.06009 0.07115 0.07595 0.08359 0.08741 0.09113 0.09516 0.10323 0.10478 0.11495 0.11996 0.12349 0.12466 0.12929 0.13130 0.13720 0.13982 0.14267 0.14382 0.14676 0.14737 0.15361 0.15682 0.16594 0.16799 0.17274 0.17350 0.17703 0.17840 0.18223 0.18531 0.18751 0.19270 0.19719 0.19765 0.19850 0.20108 0.20305 0.20641 0.21311 0.21485 0.21984 0.22189 0.22454 0.23213 0.23265 0.23812 0.24084 0.24102 0.24941 0.25143 0.25443 0.25717 0.26263 0.26593 0.27217 0.27365 0.27836 0.28238 0.28861 0.29117 0.29760 0.30219 0.30769 0.31071 0.31669 0.31743 0.32265 0.33254 0.33663 0.33954 0.34261 0.34797 0.35376 0.35554 0.36051 0.36774 0.37769 0.37920 0.38300 0.38618 0.39803 0.40415 0.40630 0.41843 0.42078 0.43293 0.43407 0.44613 0.45608 0.45884 0.46711 0.47606 0.48414 0.49319 0.49547 0.50213 0.50679 0.51972 0.52569 0.53015 0.53948 0.54866 0.55456 0.56613 0.56929 0.57149 0.57729 0.59401 0.59968 0.60279 0.60851 0.61288 0.61753 0.62167 0.63201 0.63789 0.64694 0.65258 0.65636 0.66385 0.67071 0.67424 0.68041 0.69125 0.70023 0.70329 0.70794 0.71252 0.71994 0.73787 0.74807 0.75422 0.75634 0.76375 0.76897 0.77702 0.78553 0.79056 0.79670 0.80343 0.80648 0.81575 0.82529 0.82897 0.83381 0.83742 0.84130 0.84311 0.84845 0.85200 0.85791 0.86127 0.86647 0.87681 0.88578 0.89189 0.89596 0.90036 0.90565 0.90967 0.92157 0.92476 0.93129 0.93380 0.93685 0.93843 0.94798 0.95032 0.96370 0.97101 0.98158 0.98281 0.99045 1.00024 1.00420 1.01908 1.03050 1.03734 1.04030 1.04517 1.04917 1.06441 1.07077 1.07295 1.07580 1.08368 1.09217 1.10204 1.10265 1.11599 1.12500 1.13937 1.14782 1.15473 1.16726 1.17827 1.18068 1.19060 1.19529 1.20057 1.20740 1.21037 1.21450 1.22118 1.22716 1.22829 1.23240 1.24436 1.24660 1.25141 1.25698 1.26431 1.27381 1.27839 1.28739 1.29521 1.30246 1.30575 1.32247 1.32754 1.33151 1.34010 1.34395 1.34939 1.35274 1.36983 1.38837 1.41447 1.41817 1.42736 1.43133 1.44678 1.45042 1.46208 1.47159 1.47613 1.48121 1.48343 1.49130 1.49891 1.50519 1.50848 1.51567 1.52028 1.53732 1.54149 1.55086 1.55674 1.56350 1.57807 1.58150 1.58453 1.59932 1.60439 1.61087 1.62209 1.63920 1.65251 1.66145 1.67398 1.68070 1.68645 1.68952 1.70024 1.70493 1.71750 1.73247 1.73459 1.74693 1.75869 1.76567 1.76624 1.77389 1.77867 1.78792 1.79324 1.79557 1.80361 1.81334 1.81877 1.82535 1.84066 1.84281 1.85534 1.86320 1.86720 1.87142 1.88267 1.88406 1.88733 1.89056 1.90008 1.90634 1.90767 1.91460 1.92553 1.92853 1.93646 1.94168 1.94565 1.95515 1.96436 1.96598 1.97410 1.98338 1.98864 1.99380 2.01044 2.01848 2.02260 2.02713 2.02973 2.05115 2.06116 2.06760 2.07788 2.08315 2.09024 2.09361 2.09753 2.09975 2.10093 2.10413 2.11301 2.12498 2.12644 2.13488 2.14728 2.15101 2.15595 2.15995 2.16091 2.16323 2.16678 2.17195 2.18212 2.19347 2.19836 2.20322 2.21996 2.22578 2.23240 2.24486 2.25912 2.25992 2.26185 2.26994 2.28594 2.29379 2.29584 2.30635 2.31974 2.33492 2.34390 2.36065 2.36158 2.36402 2.40183 2.41631 2.42505 2.43774 2.44696 2.47120 2.48053 2.48988 2.50265 2.52778 2.54554 2.54800 2.56219 2.57092 2.58168 2.58952 2.59569 2.59729 2.61328 2.62304 2.63257 2.63842 2.64592 2.67404 2.67644 2.68375 2.70248 2.70580 2.71238 2.71867 2.72761 2.73934 2.75147 2.77299 2.79265 2.79510 2.80371 2.80520 2.80971 2.82297 2.83085 2.85475 2.85844 2.86969 2.87643 2.88903 2.90778 2.91392 2.91958 2.92304 2.94811 2.94945 2.95733 2.96189 3.00111 3.00482 3.03365 3.04822 3.05431 3.06629 3.09545 3.10712 3.15017 3.16294 3.17479 3.19618 3.21626 3.22260 3.24296 3.26074 3.29099 3.31546 3.32122 3.32404 3.34576 3.41663 3.42510 3.49157 3.49687 3.50506 3.52314 3.52566 3.53754 3.53982 3.54353 3.57987 3.58387 3.68335 5.83513 5.84274 5.85189 5.87197 5.89004 5.92675 5.93091 45.42319</array>
                     <array dataType="xsd:double" dictRef="g:betaocc" size="130">-101.39083 -101.39065 -24.64111 -24.63905 -19.15480 -19.15235 -19.07107 -19.06966 -19.06434 -19.06307 -14.30769 -14.30452 -14.28827 -14.28807 -10.30028 -10.23814 -10.23706 -10.23655 -10.23608 -10.20577 -10.20531 -10.18751 -10.18688 -10.18031 -10.17963 -10.14996 -10.14969 -10.11275 -10.11229 -10.11227 -10.11181 -9.39398 -9.39379 -7.14383 -7.14365 -7.13323 -7.13304 -7.13264 -7.13245 -3.44969 -2.23911 -2.23292 -2.22764 -1.23695 -1.17883 -1.10534 -1.02969 -1.02729 -1.01898 -1.01768 -0.93813 -0.90006 -0.89898 -0.89025 -0.87731 -0.85116 -0.84369 -0.81066 -0.77963 -0.76416 -0.73504 -0.72229 -0.70835 -0.67075 -0.67071 -0.64869 -0.64425 -0.60959 -0.60462 -0.56632 -0.56564 -0.54031 -0.53382 -0.52391 -0.52058 -0.50465 -0.50082 -0.49371 -0.47216 -0.46623 -0.45730 -0.45346 -0.44920 -0.44728 -0.44287 -0.43884 -0.43527 -0.43223 -0.42956 -0.42251 -0.41932 -0.41737 -0.41224 -0.40999 -0.40418 -0.39847 -0.39682 -0.39198 -0.38944 -0.38493 -0.37921 -0.37576 -0.36785 -0.36729 -0.36612 -0.36028 -0.35295 -0.34403 -0.34173 -0.34128 -0.34032 -0.32967 -0.32922 -0.32737 -0.31859 -0.30647 -0.30477 -0.30010 -0.29467 -0.29056 -0.27723 -0.27167 -0.26529 -0.25969 -0.25423 -0.24616 -0.24311 -0.23981 -0.23492 -0.21614</array>
                     <array dataType="xsd:double" dictRef="g:betavirt" size="472">-0.13734 -0.12653 -0.11217 -0.05257 -0.04556 -0.03732 -0.03378 -0.01833 0.00277 0.00776 0.01402 0.01705 0.02018 0.02139 0.02363 0.03013 0.03398 0.04367 0.06024 0.07125 0.07653 0.08373 0.08777 0.09124 0.09530 0.10338 0.10494 0.11534 0.12055 0.12378 0.12524 0.12951 0.13160 0.13812 0.14001 0.14291 0.14451 0.14733 0.14765 0.15414 0.15730 0.16614 0.16823 0.17306 0.17369 0.17743 0.17925 0.18319 0.18563 0.18778 0.19320 0.19763 0.19841 0.20113 0.20144 0.20326 0.20744 0.21359 0.21535 0.22061 0.22225 0.22501 0.23285 0.23310 0.23898 0.24123 0.24171 0.25007 0.25195 0.25562 0.25739 0.26367 0.26629 0.27243 0.27398 0.28039 0.28303 0.28963 0.29201 0.29823 0.30313 0.30847 0.31153 0.31730 0.31872 0.32322 0.33332 0.33820 0.34178 0.34301 0.35052 0.35531 0.35707 0.36088 0.36815 0.37854 0.37975 0.38377 0.38794 0.39952 0.40605 0.40699 0.41923 0.42198 0.43495 0.43565 0.44654 0.45769 0.45993 0.46785 0.47651 0.48450 0.49397 0.49627 0.50264 0.50759 0.52041 0.52623 0.53101 0.54060 0.54948 0.55556 0.56692 0.57000 0.57197 0.57823 0.59401 0.60023 0.60351 0.60889 0.61360 0.61823 0.62179 0.63381 0.63817 0.64704 0.65325 0.65642 0.66712 0.67181 0.67469 0.68188 0.69526 0.70203 0.70381 0.70816 0.71415 0.72142 0.74190 0.74970 0.75539 0.75720 0.76573 0.77027 0.77893 0.78694 0.79156 0.79743 0.80512 0.80821 0.81866 0.82584 0.82973 0.83521 0.83846 0.84246 0.84357 0.85045 0.85315 0.85862 0.86150 0.86779 0.87794 0.88848 0.89254 0.89805 0.90146 0.91029 0.91121 0.92239 0.92591 0.93253 0.93470 0.93876 0.94036 0.94836 0.95136 0.96484 0.97476 0.98202 0.98417 0.99133 1.00245 1.00492 1.02075 1.03203 1.03802 1.04092 1.04587 1.05000 1.06512 1.07178 1.07583 1.07741 1.08448 1.09304 1.10296 1.10589 1.11700 1.12600 1.13982 1.14852 1.15573 1.16862 1.17927 1.18157 1.19147 1.19603 1.20207 1.20812 1.21107 1.21497 1.22155 1.22791 1.22892 1.23350 1.24475 1.24698 1.25310 1.25753 1.26475 1.27650 1.27917 1.28802 1.29604 1.30285 1.30613 1.32320 1.32806 1.33241 1.34069 1.34426 1.34991 1.35316 1.37014 1.38913 1.41637 1.41889 1.42773 1.43229 1.44803 1.45202 1.46239 1.47274 1.47722 1.48167 1.48360 1.49177 1.49907 1.50599 1.50879 1.51598 1.52111 1.53779 1.54172 1.55127 1.55722 1.56376 1.57820 1.58204 1.58470 1.60013 1.60504 1.61177 1.62298 1.63962 1.65291 1.66219 1.67465 1.68125 1.68706 1.68983 1.70098 1.70508 1.71806 1.73304 1.73518 1.74735 1.75925 1.76637 1.76695 1.77427 1.77897 1.78820 1.79361 1.79597 1.80410 1.81385 1.81927 1.82644 1.84095 1.84300 1.85580 1.86369 1.86759 1.87198 1.88292 1.88458 1.88784 1.89063 1.90094 1.90687 1.90822 1.91512 1.92588 1.92897 1.93693 1.94215 1.94635 1.95551 1.96472 1.96660 1.97453 1.98383 1.98935 1.99431 2.01142 2.01889 2.02312 2.02737 2.02995 2.05144 2.06192 2.06782 2.07820 2.08353 2.09094 2.09415 2.09763 2.10011 2.10131 2.10429 2.11366 2.12506 2.12716 2.13544 2.14771 2.15172 2.15647 2.16061 2.16117 2.16335 2.16735 2.17216 2.18239 2.19408 2.19876 2.20384 2.22033 2.22612 2.23292 2.24531 2.25946 2.26080 2.26249 2.27081 2.28651 2.29409 2.29627 2.30704 2.32009 2.33603 2.34346 2.36122 2.36208 2.36443 2.40280 2.41644 2.42593 2.43933 2.44710 2.47155 2.48031 2.49052 2.50299 2.52869 2.54645 2.54882 2.56312 2.57164 2.58262 2.59023 2.59646 2.59785 2.61356 2.62335 2.63312 2.63872 2.64631 2.67465 2.67585 2.68437 2.70289 2.70650 2.71325 2.71921 2.72782 2.73985 2.75154 2.77322 2.79316 2.79539 2.80384 2.80565 2.81007 2.82310 2.83162 2.85528 2.85872 2.87022 2.87681 2.88943 2.90817 2.91406 2.91974 2.92336 2.94818 2.94952 2.95777 2.96251 3.00171 3.00537 3.03417 3.04861 3.05479 3.06678 3.09600 3.10755 3.15066 3.16292 3.17540 3.19652 3.21661 3.22305 3.24325 3.26097 3.29140 3.31555 3.32120 3.32400 3.34579 3.41697 3.42523 3.49159 3.49686 3.50535 3.52319 3.52571 3.53749 3.53982 3.54338 3.57991 3.58396 3.68359 5.95061 5.95486 5.96537 5.97935 5.99070 6.00062 6.01880 45.52552</array>
                     <module cmlx:templateRef="l601.state">
                        <scalar dataType="xsd:string" dictRef="g:l601.state">3-A.</scalar>
                     </module>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l716.dipole">
                     <array cmlx:templateRef="dipole"
                            dataType="xsd:double"
                            dictRef="x:d"
                            size="3">-3.61411051e+00 -9.21016153e-01 3.32787571e-01</array>
                  </module>
               </property>
               <property dictRef="cc:forces">
                  <scalar dictRef="cc:linkToAtoms">./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999']</scalar>
               </property>
               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-9.1862 -2.3410 0.8459</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">9.5174</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-310.9084 -239.2599 -209.2766</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-0.4953 -2.8945 -7.0213</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-57.7601 13.8884 43.8717 -0.4953 -2.8945 -7.0213</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-190.4904 -9.7281 11.5370 16.7894 -3.2722 27.8368 11.7719 -15.2024 53.3311 0.7839</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-14559.0876 -5958.2749 -1211.2383 -13.1478 147.5249 -8.8412 -35.0987 -9.1836 -50.5685 -3305.1731 -2288.2075 -1094.1889 -4.8496 14.7337 2.0985</array>
                  </list>
               </property>
               <property dictRef="cc:virtualorbs">
                  <array dataType="xsd:string" delimiter="|" size="472">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals:</array>
               </property>
               <property dictRef="cc:virtualorbs">
                  <array dataType="xsd:string" delimiter="|" size="472">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
               </property>
               <property dictRef="cc:virtualorbs">
                  <array dataType="xsd:string" delimiter="|" size="472">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals:</array>
               </property>
               <property dictRef="cc:virtualorbs">
                  <array dataType="xsd:string" delimiter="|" size="472">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
               </property>
               <property dictRef="cc:occupiedorbs">
                  <array dataType="xsd:string" delimiter="|" size="132">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
               </property>
               <property dictRef="cc:occupiedorbs">
                  <array dataType="xsd:string" delimiter="|" size="130">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
               </property>
               <property dictRef="cc:occupiedorbs">
                  <array dataType="xsd:string" delimiter="|" size="132">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
               </property>
               <property dictRef="cc:occupiedorbs">
                  <array dataType="xsd:string" delimiter="|" size="130">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:electronicstate">3-A</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:hfenergy" units="nonsi:hartree">-2570.9572621</scalar>
                  <scalar dataType="xsd:string" dictRef="x:S2">2.100052</scalar>
                  <scalar dataType="xsd:string" dictRef="x:S2-1">0.</scalar>
                  <scalar dataType="xsd:string" dictRef="x:S2A">2.003355</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">4.633E-9</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">1.076E-5</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Quadrupole">-43.0012515,10.6881735,32.313078,-0.11456,-0.7614749,-5.9167139</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C17H15Cl2F2Fe1N4O6)]</scalar>
                  <array dataType="xsd:double"
                         dictRef="cc:dipole"
                         size="3"
                         units="nonsi:debye">-3.61278 -0.9112942 0.3717214</array>
                  <array dataType="xsd:double" dictRef="cc:forceConstants" size="1">@</array>
               </module>
            </module>
            <molecule formalCharge="-1" id="mol9999" spinMultiplicity="3">
               <atomArray>
                  <atom elementType="Fe"
                        id="a1"
                        x3="0.75080132"
                        y3="0.02822434"
                        z3="0.18319312">
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.0" size="3">-0.000021369 0.000010295 0.000015651</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.1" size="3">0.000016071 -0.000022468 -0.000014666</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.2" size="3">0.000017867 -0.000017295 -0.000007966</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.3" size="3">0.000013617 0.000001897 -0.000007282</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.4" size="3">-0.000014302 0.000008875 0.000002142</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.5" size="3">-0.000004757 0.000011363 -0.000002665</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.6" size="3">0.000006733 0.000007283 -0.000015173</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.7" size="3">0.000003569 0.000006503 -0.000009310</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.8" size="3">-0.000009436 0.000006789 -0.000013606</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.9" size="3">0.000002601 0.000013348 -0.000016790</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.10" size="3">0.000003667 0.000008155 -0.000007910</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.11" size="3">-0.000001431 0.000007807 -0.000019583</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.12" size="3">-0.000004594 0.000008806 -0.000018326</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.13" size="3">0.000013460 -0.000004222 0.000016340</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.14" size="3">-0.000003029 0.000037322 -0.000000514</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.15" size="3">0.000019755 -0.000010864 0.000002118</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.16" size="3">0.000003844 -0.000003101 0.000011260</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.17" size="3">0.000006038 -0.000006874 0.000016636</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.18" size="3">0.000008977 -0.000002981 0.000011506</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.19" size="3">0.000001437 -0.000006820 0.000010043</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.20" size="3">0.000013987 0.000001983 0.000009265</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.21" size="3">0.000016783 0.000002077 0.000009820</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.22" size="3">0.000014795 -0.000002750 0.000014934</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.23" size="3">0.000014539 0.000002368 0.000007999</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.24" size="3">-0.000001580 0.000001936 -0.000002569</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.25" size="3">-0.000003960 -0.000011615 0.000000930</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.26" size="3">-0.000005715 0.000004498 -0.000013938</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.27" size="3">-0.000011358 -0.000000727 -0.000001168</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.28" size="3">-0.000012383 -0.000002813 -0.000006716</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.29" size="3">-0.000011808 -0.000006558 0.000000144</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.30" size="3">-0.000017844 -0.000000281 -0.000002210</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.31" size="3">-0.000003144 0.000002448 -0.000000155</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.32" size="3">-0.000000391 -0.000000779 0.000000081</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.33" size="3">-0.000001633 0.000003266 -0.000007394</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.34" size="3">0.000003566 0.000003999 -0.000001317</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.35" size="3">-0.000002881 -0.000003873 0.000013752</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.36" size="3">-0.000010908 -0.000007911 0.000007555</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.37" size="3">0.000006391 -0.000001410 0.000015833</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.38" size="3">0.000012447 -0.000004946 0.000020517</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.39" size="3">-0.000002883 -0.000009682 0.000007387</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.40" size="3">-0.000003862 -0.000010722 0.000018163</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.41" size="3">-0.000008930 -0.000015096 0.000009429</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.42" size="3">-0.000010055 -0.000018685 -0.000004744</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.43" size="3">0.000002256 0.000014558 -0.000019283</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.44" size="3">-0.000004663 0.000015549 -0.000025748</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.45" size="3">-0.000014770 -0.000004238 0.000003437</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.46" size="3">-0.000014716 -0.000004411 -0.000005908</array>
                     </property>
                  </atom>
                  <atom elementType="N"
                        id="a2"
                        x3="-0.58278638"
                        y3="1.27260296"
                        z3="-0.16896782"/>
                  <atom elementType="N"
                        id="a3"
                        x3="1.9415673"
                        y3="1.48810384"
                        z3="-0.15393463"/>
                  <atom elementType="N"
                        id="a4"
                        x3="1.92094733"
                        y3="-1.39662988"
                        z3="-0.35147819"/>
                  <atom elementType="N"
                        id="a5"
                        x3="-0.59286539"
                        y3="-1.19905039"
                        z3="-0.22997739"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-1.8762832"
                        y3="0.74976532"
                        z3="-0.07902525"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-1.88247882"
                        y3="-0.67238771"
                        z3="-0.12883331"/>
                  <atom elementType="C"
                        id="a8"
                        x3="-3.0767636"
                        y3="1.45752802"
                        z3="0.04916791"/>
                  <atom elementType="C"
                        id="a9"
                        x3="-3.09011508"
                        y3="-1.37543691"
                        z3="-0.05924257"/>
                  <atom elementType="C"
                        id="a10"
                        x3="-4.2747436"
                        y3="0.74559463"
                        z3="0.11213013"/>
                  <atom elementType="H"
                        id="a11"
                        x3="-3.07952277"
                        y3="2.5371839"
                        z3="0.09427731"/>
                  <atom elementType="C"
                        id="a12"
                        x3="-4.28136677"
                        y3="-0.65893337"
                        z3="0.05738055"/>
                  <atom elementType="H"
                        id="a13"
                        x3="-3.10325213"
                        y3="-2.45555753"
                        z3="-0.09037318"/>
                  <atom elementType="C"
                        id="a14"
                        x3="1.29014248"
                        y3="2.80897647"
                        z3="-0.36146567"/>
                  <atom elementType="C"
                        id="a15"
                        x3="-0.22573049"
                        y3="2.58688993"
                        z3="-0.30353536"/>
                  <atom elementType="O"
                        id="a16"
                        x3="-1.03109445"
                        y3="3.52504144"
                        z3="-0.42038106"/>
                  <atom elementType="C"
                        id="a17"
                        x3="1.67519537"
                        y3="3.80267526"
                        z3="0.75132643"/>
                  <atom elementType="H"
                        id="a18"
                        x3="2.74217984"
                        y3="4.0276332"
                        z3="0.70232397"/>
                  <atom elementType="H"
                        id="a19"
                        x3="1.11402268"
                        y3="4.73145397"
                        z3="0.61720425"/>
                  <atom elementType="H"
                        id="a20"
                        x3="1.44048855"
                        y3="3.38787102"
                        z3="1.736019"/>
                  <atom elementType="C"
                        id="a21"
                        x3="1.59207912"
                        y3="3.38471658"
                        z3="-1.76327593"/>
                  <atom elementType="H"
                        id="a22"
                        x3="0.99161598"
                        y3="4.28586472"
                        z3="-1.91475865"/>
                  <atom elementType="H"
                        id="a23"
                        x3="2.64788139"
                        y3="3.64300099"
                        z3="-1.84761617"/>
                  <atom elementType="H"
                        id="a24"
                        x3="1.33661887"
                        y3="2.65678835"
                        z3="-2.5394548"/>
                  <atom elementType="C"
                        id="a25"
                        x3="-0.24659281"
                        y3="-2.48605237"
                        z3="-0.5361285"/>
                  <atom elementType="C"
                        id="a26"
                        x3="1.26816478"
                        y3="-2.70192323"
                        z3="-0.6410235"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-1.05642938"
                        y3="-3.40275226"
                        z3="-0.75535462"/>
                  <atom elementType="C"
                        id="a28"
                        x3="1.66500062"
                        y3="-3.7686699"
                        z3="0.39943476"/>
                  <atom elementType="H"
                        id="a29"
                        x3="1.09976065"
                        y3="-4.68507272"
                        z3="0.20855419"/>
                  <atom elementType="H"
                        id="a30"
                        x3="2.73084459"
                        y3="-3.99212189"
                        z3="0.32611086"/>
                  <atom elementType="H"
                        id="a31"
                        x3="1.4397602"
                        y3="-3.42058301"
                        z3="1.41226278"/>
                  <atom elementType="C"
                        id="a32"
                        x3="1.55449664"
                        y3="-3.1806409"
                        z3="-2.08004594"/>
                  <atom elementType="H"
                        id="a33"
                        x3="2.61107932"
                        y3="-3.42374766"
                        z3="-2.19546966"/>
                  <atom elementType="H"
                        id="a34"
                        x3="0.95926565"
                        y3="-4.07491148"
                        z3="-2.28385627"/>
                  <atom elementType="H"
                        id="a35"
                        x3="1.28296623"
                        y3="-2.40533572"
                        z3="-2.80308851"/>
                  <atom elementType="C"
                        id="a36"
                        x3="3.27432815"
                        y3="1.39094903"
                        z3="-0.21145121"/>
                  <atom elementType="C"
                        id="a37"
                        x3="3.25807657"
                        y3="-1.31130056"
                        z3="-0.37182622"/>
                  <atom elementType="C"
                        id="a38"
                        x3="3.84536338"
                        y3="0.00880957"
                        z3="0.19637583"/>
                  <atom elementType="O"
                        id="a39"
                        x3="4.09426135"
                        y3="2.28929672"
                        z3="-0.49286563"/>
                  <atom elementType="O"
                        id="a40"
                        x3="4.07136056"
                        y3="-2.19047537"
                        z3="-0.7211285"/>
                  <atom elementType="F"
                        id="a41"
                        x3="5.18606584"
                        y3="0.01555859"
                        z3="-0.06485801"/>
                  <atom elementType="F"
                        id="a42"
                        x3="3.7418372"
                        y3="-0.07413289"
                        z3="1.59059681"/>
                  <atom elementType="O"
                        id="a43"
                        x3="0.36717645"
                        y3="0.24276667"
                        z3="1.96966838"/>
                  <atom elementType="Cl"
                        id="a44"
                        x3="-5.76414761"
                        y3="1.64515151"
                        z3="0.26326404"/>
                  <atom elementType="Cl"
                        id="a45"
                        x3="-5.77887759"
                        y3="-1.55351606"
                        z3="0.14097191"/>
                  <atom elementType="O"
                        id="a46"
                        x3="1.00125452"
                        y3="-0.75932357"
                        z3="2.74688448"/>
                  <atom elementType="H"
                        id="a47"
                        x3="0.36637312"
                        y3="-1.50356164"
                        z3="2.70187585"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a43" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a3 a36" order="S"/>
                  <bond atomRefs2="a4 a26" order="S"/>
                  <bond atomRefs2="a4 a37" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a25" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a10 a44" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a12 a45" order="S"/>
                  <bond atomRefs2="a14 a21" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a32" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a40" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a41" order="S"/>
                  <bond atomRefs2="a43 a46" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
               </bondArray>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">520.9529063999997</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C17H14Cl2F2N4O4.Fe.H2O2/c1-15(2)11(26)22-9-5-7(18)8(19)6-10(9)23-12(27)16(3,4)25-14(29)17(20,21)13(28)24-15;;1-2/h5-6H,1-4H3;;1-2H/q-4;+5;/p-1">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:17,21,28,32,8,9,10,12,6,7,15,25,36,37,14,26,38,44,45,41,42,2,5,3,4,16,27,39,40;1;43,46/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29);;(1,2)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,22-1,23-1,24-1,25-1,26.1,27.1,28.1,29.1;;/rA:47FeNNNNC3C3C3C3C3HC3HCC3O1CHHHCHHHC3CO1CHHHCHHHC3C3CO1O1FFOClClOH/rB:s1;s1;s1;s1;s2;s5s6;s6;s7;s8;s8;s9s10;s9;s3;s2s14;s15;s14;s17;s17;s17;s14;s21;s21;s21;s5;s4s25;s25;s26;s28;s28;s28;s26;s32;s32;s32;s3;s4;s36s37;s36;s37;s38;s38;s1;s10;s12;s43;s46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
      <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 09</scalar>
               </parameter>
               <parameter dictRef="cc:hostname">
                  <scalar dataType="xsd:string">GINC-N58</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">CRAIGMI</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">tpssh-Fe-20-OOH-triplet</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">ES64L-G09RevE.01</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:degfreedom">
                  <scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">135</scalar>
               </parameter>
               <parameter dictRef="cc:frameworkgroup">
                  <scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C17H15Cl2F2FeN4O6)]</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">UTPSSh</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">Gen</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">Freq</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#P</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Geom=AllCheck</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Guess=TCheck</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">SCRF=Check</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">GenChk</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">UTPSSh/ChkBas</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Freq</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="atom"
                      formalCharge="-1"
                      id="mol.l202.orient"
                      spinMultiplicity="3">
               <atomArray>
                  <atom elementType="Fe"
                        id="a1"
                        x3="0.750801"
                        y3="0.028224"
                        z3="0.183193">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="N"
                        id="a2"
                        x3="-0.582786"
                        y3="1.272603"
                        z3="-0.168968">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="N"
                        id="a3"
                        x3="1.941567"
                        y3="1.488104"
                        z3="-0.153935">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="N"
                        id="a4"
                        x3="1.920947"
                        y3="-1.39663"
                        z3="-0.351478">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="N"
                        id="a5"
                        x3="-0.592865"
                        y3="-1.19905"
                        z3="-0.229977">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a6"
                        x3="-1.876283"
                        y3="0.749765"
                        z3="-0.079025">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a7"
                        x3="-1.882479"
                        y3="-0.672388"
                        z3="-0.128833">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a8"
                        x3="-3.076764"
                        y3="1.457528"
                        z3="0.049168">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a9"
                        x3="-3.090115"
                        y3="-1.375437"
                        z3="-0.059243">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a10"
                        x3="-4.274744"
                        y3="0.745595"
                        z3="0.11213">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a11"
                        x3="-3.079523"
                        y3="2.537184"
                        z3="0.094277">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a12"
                        x3="-4.281367"
                        y3="-0.658933"
                        z3="0.057381">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a13"
                        x3="-3.103252"
                        y3="-2.455558"
                        z3="-0.090373">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a14"
                        x3="1.290142"
                        y3="2.808976"
                        z3="-0.361466">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a15"
                        x3="-0.22573"
                        y3="2.58689"
                        z3="-0.303535">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="O"
                        id="a16"
                        x3="-1.031094"
                        y3="3.525041"
                        z3="-0.420381">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a17"
                        x3="1.675195"
                        y3="3.802675"
                        z3="0.751326">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a18"
                        x3="2.74218"
                        y3="4.027633"
                        z3="0.702324">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a19"
                        x3="1.114023"
                        y3="4.731454"
                        z3="0.617204">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a20"
                        x3="1.440489"
                        y3="3.387871"
                        z3="1.736019">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a21"
                        x3="1.592079"
                        y3="3.384717"
                        z3="-1.763276">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a22"
                        x3="0.991616"
                        y3="4.285865"
                        z3="-1.914759">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a23"
                        x3="2.647881"
                        y3="3.643001"
                        z3="-1.847616">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a24"
                        x3="1.336619"
                        y3="2.656788"
                        z3="-2.539455">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a25"
                        x3="-0.246593"
                        y3="-2.486052"
                        z3="-0.536129">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a26"
                        x3="1.268165"
                        y3="-2.701923"
                        z3="-0.641023">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="O"
                        id="a27"
                        x3="-1.056429"
                        y3="-3.402752"
                        z3="-0.755355">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a28"
                        x3="1.665001"
                        y3="-3.76867"
                        z3="0.399435">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a29"
                        x3="1.099761"
                        y3="-4.685073"
                        z3="0.208554">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a30"
                        x3="2.730845"
                        y3="-3.992122"
                        z3="0.326111">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a31"
                        x3="1.43976"
                        y3="-3.420583"
                        z3="1.412263">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a32"
                        x3="1.554497"
                        y3="-3.180641"
                        z3="-2.080046">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a33"
                        x3="2.611079"
                        y3="-3.423748"
                        z3="-2.19547">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a34"
                        x3="0.959266"
                        y3="-4.074911"
                        z3="-2.283856">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a35"
                        x3="1.282966"
                        y3="-2.405336"
                        z3="-2.803089">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a36"
                        x3="3.274328"
                        y3="1.390949"
                        z3="-0.211451">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a37"
                        x3="3.258077"
                        y3="-1.311301"
                        z3="-0.371826">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a38"
                        x3="3.845363"
                        y3="0.00881"
                        z3="0.196376">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="O"
                        id="a39"
                        x3="4.094261"
                        y3="2.289297"
                        z3="-0.492866">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="O"
                        id="a40"
                        x3="4.071361"
                        y3="-2.190475"
                        z3="-0.721129">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="F"
                        id="a41"
                        x3="5.186066"
                        y3="0.015559"
                        z3="-0.064858">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="F"
                        id="a42"
                        x3="3.741837"
                        y3="-0.074133"
                        z3="1.590597">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="O"
                        id="a43"
                        x3="0.367176"
                        y3="0.242767"
                        z3="1.969668">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="Cl"
                        id="a44"
                        x3="-5.764148"
                        y3="1.645152"
                        z3="0.263264">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="Cl"
                        id="a45"
                        x3="-5.778878"
                        y3="-1.553516"
                        z3="0.140972">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="O"
                        id="a46"
                        x3="1.001255"
                        y3="-0.759324"
                        z3="2.746884">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a47"
                        x3="0.366373"
                        y3="-1.503562"
                        z3="2.701876">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a43" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a3 a36" order="S"/>
                  <bond atomRefs2="a4 a26" order="S"/>
                  <bond atomRefs2="a4 a37" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a25" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a10 a44" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a12 a45" order="S"/>
                  <bond atomRefs2="a14 a21" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a32" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a40" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a41" order="S"/>
                  <bond atomRefs2="a43 a46" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
               </bondArray>
               <formula concise="C 17 H 15 Cl 2 F 2 Fe 1 N 4 O 6"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">520.9529063999997</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C17H14Cl2F2N4O4.Fe.H2O2/c1-15(2)11(26)22-9-5-7(18)8(19)6-10(9)23-12(27)16(3,4)25-14(29)17(20,21)13(28)24-15;;1-2/h5-6H,1-4H3;;1-2H/q-4;+5;/p-1">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:17,21,28,32,8,9,10,12,6,7,15,25,36,37,14,26,38,44,45,41,42,2,5,3,4,16,27,39,40;1;43,46/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29);;(1,2)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,22-1,23-1,24-1,25-1,26.1,27.1,28.1,29.1;;/rA:47FeNNNNC3C3C3C3C3HC3HCC3O1CHHHCHHHC3CO1CHHHCHHHC3C3CO1O1FFOClClOH/rB:s1;s1;s1;s1;s2;s5s6;s6;s7;s8;s8;s9s10;s9;s3;s2s14;s15;s14;s17;s17;s17;s14;s21;s21;s21;s5;s4s25;s25;s26;s28;s28;s28;s26;s32;s32;s32;s3;s4;s36s37;s36;s37;s38;s38;s1;s10;s12;s43;s46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">tpssh-Fe-20-OOH-triplet</scalar>
                  </module>
                  <module cmlx:templateRef="l101.redundantcoords">
                     <scalar cmlx:templateRef="redundant"
                             dataType="xsd:string"
                             dictRef="g:redundant">Redundant internal coordinates found in file.</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="47">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</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="47">56 14 14 14 14 12 12 12 12 12 1 12 1 12 12 16 12 1 1 1 12 1 1 1 12 12 16 12 1 1 1 12 1 1 1 12 12 12 16 16 19 19 16 35 35 16 1</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="47">55.9349393 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 15.9949146 15.9949146 18.9984033 18.9984033 15.9949146 34.9688527 34.9688527 15.9949146 1.0078250</array>
                     <array cmlx:templateRef="nucspn"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="47">0 2 2 2 2 0 0 0 0 0 1 0 1 0 0 0 0 1 1 1 0 1 1 1 0 0 0 0 1 1 1 0 1 1 1 0 0 0 0 0 1 1 0 3 3 0 1</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="47">-13.9100000 -4.5500000 -4.5500000 -4.5500000 -4.5500000 -3.6000000 -3.6000000 -3.6000000 -3.6000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -3.6000000 -3.6000000 -5.6000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -3.6000000 -3.6000000 -5.6000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -3.6000000 -3.6000000 -3.6000000 -5.6000000 -5.6000000 -6.7500000 -6.7500000 -5.6000000 -14.2400000 -14.2400000 -5.6000000 -1.0000000</array>
                  </module>
                  <list cmlx:templateRef="rest">
                     <scalar dataType="xsd:string" dictRef="x:l101">(Enter /ichec/packages/gaussian/09e01/l101.exe)</scalar>
                     <scalar dataType="xsd:string" dictRef="x:l101">Structure from the checkpoint file:  "tpssh-Fe-20-OOH-triplet.chk"</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Initialization pass.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.init">
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="51">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="51">1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 7 8 8 9 9 10 10 12 14 14 14 15 17 17 17 21 21 21 25 25 26 26 28 28 28 32 32 32 36 36 37 37 38 38 43 46</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="51">2 3 4 5 43 6 15 14 36 26 37 7 25 7 8 9 10 11 12 13 12 44 45 15 17 21 16 18 19 20 22 23 24 26 27 28 32 29 30 31 33 34 35 38 39 38 40 41 42 46 47</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="51">1.8577 1.9139 1.9197 1.8661 1.8398 1.3981 1.3686 1.4873 1.3375 1.4879 1.34 1.3967 1.3675 1.423 1.3995 1.3991 1.395 1.0806 1.395 1.0806 1.4056 1.7465 1.7464 1.5332 1.5408 1.5452 1.2419 1.0915 1.0934 1.094 1.0934 1.0902 1.0943 1.5337 1.2427 1.5421 1.5434 1.0935 1.0915 1.0944 1.0903 1.0934 1.0944 1.5501 1.2484 1.5526 1.2476 1.3659 1.4005 1.4179 0.9793</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="51">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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="96">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 A96</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="96">2 2 2 2 3 3 3 4 4 5 1 1 6 1 1 14 1 1 26 1 1 7 2 2 7 5 5 6 6 6 10 7 7 12 8 8 12 9 9 10 3 3 3 15 15 17 2 2 14 14 14 14 18 18 19 14 14 14 22 22 23 5 5 26 4 4 4 25 25 28 26 26 26 29 29 30 26 26 26 33 33 34 3 3 38 4 4 38 36 36 36 37 37 41 1 43</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="96">1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 12 12 12 14 14 14 14 14 14 15 15 15 17 17 17 17 17 17 21 21 21 21 21 21 25 25 25 26 26 26 26 26 26 28 28 28 28 28 28 32 32 32 32 32 32 36 36 36 37 37 37 38 38 38 38 38 38 43 46</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="96">3 4 5 43 4 5 43 5 43 43 6 15 15 14 36 36 26 37 37 7 25 25 7 8 8 6 9 9 10 11 11 12 13 13 12 44 44 10 45 45 15 17 21 17 21 21 14 16 16 18 19 20 19 20 20 22 23 24 23 24 24 26 27 27 25 28 32 28 32 32 29 30 31 30 31 31 33 34 35 34 35 35 38 39 39 38 40 40 37 41 42 41 42 42 46 47</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="96">84.3929 151.8798 83.2043 87.4939 97.9238 155.5966 102.2299 83.6324 118.9538 98.1374 113.6709 118.336 127.3624 115.436 124.8989 119.6651 115.9709 124.4161 119.3869 113.6291 119.0912 127.2225 112.0562 127.6194 120.3243 112.0467 127.6691 120.2784 118.8619 120.751 120.3865 118.8906 120.7513 120.3575 120.8138 118.2549 120.9313 120.8275 118.2389 120.933 107.4055 111.2554 111.8326 108.2536 106.3467 111.4732 113.6274 124.4374 121.8833 110.1682 109.328 110.6051 108.7306 109.1639 108.8071 108.9929 110.346 110.4863 109.0177 108.7687 109.1953 113.4459 124.6628 121.8543 107.2497 111.2643 111.8495 107.7817 106.8982 111.5178 109.204 110.3399 110.5752 108.7522 108.7666 109.1634 110.3438 109.0557 110.5029 108.9924 109.1755 108.7356 114.8682 127.7245 117.322 115.2168 127.5809 117.0702 121.5015 107.8704 106.708 107.7877 106.6195 105.2622 110.8927 102.8268</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="96">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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="157">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 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="157">3 3 4 4 5 5 43 43 2 2 4 4 5 5 43 43 2 2 3 3 5 5 43 43 2 2 3 3 4 4 43 43 2 3 4 5 1 1 15 15 1 1 6 6 1 1 1 36 36 36 1 1 14 14 1 1 1 37 37 37 1 1 26 26 1 1 25 25 1 1 7 7 2 2 8 8 2 2 7 7 5 5 6 6 6 6 11 11 7 7 13 13 8 8 44 44 3 3 17 17 21 21 3 3 3 15 15 15 21 21 21 3 3 3 15 15 15 17 17 17 5 5 5 27 27 27 4 4 4 25 25 25 32 32 32 4 4 4 25 25 25 28 28 28 3 3 3 39 39 39 4 4 4 40 40 40 1</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="157">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 25 25 25 25 25 25 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 36 36 36 36 36 36 37 37 37 37 37 37 43</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="157">2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 43 43 43 43 6 6 6 6 15 15 15 15 14 14 14 14 14 14 36 36 36 36 26 26 26 26 26 26 37 37 37 37 7 7 7 7 25 25 25 25 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 12 12 12 12 12 12 12 12 15 15 15 15 15 15 17 17 17 17 17 17 17 17 17 21 21 21 21 21 21 21 21 21 26 26 26 26 26 26 28 28 28 28 28 28 28 28 28 32 32 32 32 32 32 32 32 32 38 38 38 38 38 38 38 38 38 38 38 38 46</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="157">6 15 6 15 6 15 6 15 14 36 14 36 14 36 14 36 26 37 26 37 26 37 26 37 7 25 7 25 7 25 7 25 46 46 46 46 7 8 7 8 14 16 14 16 15 17 21 15 17 21 38 39 38 39 25 28 32 25 28 32 38 40 38 40 6 9 6 9 26 27 26 27 5 9 5 9 10 11 10 11 12 13 12 13 12 44 12 44 10 45 10 45 9 45 9 45 2 16 2 16 2 16 18 19 20 18 19 20 18 19 20 22 23 24 22 23 24 22 23 24 4 28 32 4 28 32 29 30 31 29 30 31 29 30 31 33 34 35 33 34 35 33 34 35 37 41 42 37 41 42 36 41 42 36 41 42 47</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="157">179.702 -8.7295 83.3761 -105.0554 20.7609 -167.6705 -77.7444 93.8242 6.0128 -173.9707 157.7856 -22.1979 65.7362 -114.2473 -80.1894 99.8272 -69.2077 116.308 -162.1397 23.376 -6.6877 178.8279 89.1108 -85.3736 -20.1054 162.4476 -80.051 102.5019 -175.2011 7.3518 66.3674 -111.0797 168.3069 -107.9829 -1.6554 85.54 -17.2988 162.5725 172.046 -8.0827 9.2874 -173.2977 179.5602 -3.0249 -2.6398 115.6646 -118.9568 177.3446 -64.351 61.0275 -7.4137 176.0646 172.6035 -3.9182 4.9255 -112.7182 121.8247 179.7042 62.0605 -63.3966 5.2116 -179.124 -169.0969 6.5676 15.4221 -163.6953 -167.3797 13.503 -6.2691 175.916 176.6685 -1.1465 1.129 -179.68 -178.7529 0.4381 179.4488 -0.2707 -0.6894 179.5911 179.1409 -0.5761 0.0882 -179.6288 0.4281 -179.6701 -179.8513 0.0504 -0.3535 179.9284 179.3647 -0.3534 0.0963 179.8068 -179.8028 -0.0923 -3.8886 178.6223 -124.1169 58.394 115.9863 -61.5028 65.4248 -175.1455 -55.3531 -176.7828 -57.3531 62.4393 -60.154 59.2757 179.0681 172.7611 -67.5569 53.2995 55.8037 175.4857 -63.6579 -61.9806 57.7014 178.5578 0.6265 120.5198 -119.4801 178.5107 -61.5961 58.4041 174.9768 -65.5394 55.3312 57.6558 177.1396 -61.9898 -59.3815 60.1023 -179.0271 67.1217 -173.1894 -53.7192 -175.7673 -56.0784 63.3918 -58.1956 61.4933 -179.0365 47.8465 172.8795 -74.4425 -135.2497 -10.2167 102.4613 -46.6567 -171.7276 75.6742 137.2011 12.1302 -100.468 -85.1359</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="g:deriv"
                               size="157">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 cmlx:templateRef="l103.trust">
                     <scalar dataType="xsd:double" dictRef="g:trustrad">3.00e-01</scalar>
                     <scalar dataType="xsd:double" dictRef="g:fncerr">1.00e-07</scalar>
                     <scalar dataType="xsd:double" dictRef="g:grderr">1.00e-07</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:nstep">2</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:allowedstep">2</scalar>
                  </module>
                  <module cmlx:templateRef="l103.catchall">
                     <list cmlx:templateRef="l103.discard">
                        <scalar dataType="xsd:string" dictRef="x:discard"/>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Red2BG is reusing G-inverse.</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="135">0.00122 0.00162 0.00174 0.00191 0.00259 0.00272 0.00283 0.00389 0.00454 0.00542 0.00649 0.00884 0.00967 0.01071 0.01235 0.01495 0.01627 0.01683 0.01717 0.01779 0.01884 0.02104 0.02519 0.02553 0.02610 0.02847 0.02947 0.03036 0.03079 0.03402 0.03934 0.04002 0.04442 0.04528 0.04548 0.04556 0.04598 0.04621 0.04652 0.04664 0.04681 0.04695 0.04736 0.05091 0.05264 0.05499 0.05730 0.05796 0.09848 0.10348 0.10450 0.10767 0.10847 0.11564 0.11718 0.11912 0.12047 0.12136 0.12305 0.12323 0.12601 0.13808 0.14030 0.14195 0.14391 0.14421 0.14470 0.14588 0.14730 0.14936 0.15112 0.15709 0.15949 0.16144 0.16542 0.17294 0.17549 0.17796 0.17996 0.18312 0.18382 0.18469 0.19121 0.20277 0.20460 0.20701 0.21066 0.21811 0.21972 0.23735 0.25497 0.25717 0.26784 0.26824 0.26942 0.26986 0.27323 0.28068 0.30447 0.30685 0.30757 0.31112 0.31900 0.32592 0.33384 0.33771 0.34084 0.34137 0.34206 0.34275 0.34514 0.34530 0.34604 0.34664 0.35140 0.35157 0.35352 0.35422 0.37238 0.37401 0.37729 0.40125 0.40814 0.42118 0.44825 0.45940 0.46044 0.47235 0.48112 0.49131 0.49899 0.68800 0.70464 0.70965 0.71739</array>
                     <array cmlx:templateRef="junk"
                            dataType="xsd:string"
                            dictRef="x:junk1"
                            size="8">Angle between quadratic step and forces= 68.61 degrees.</array>
                     <list cmlx:templateRef="iterationList">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
                        <array dataType="xsd:double" dictRef="g:rmscart" size="2">0.00048286 0.00000015</array>
                        <array dataType="xsd:double" dictRef="g:rmsint" size="2">0.00000008 0.00000001</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.deltas">
                     <list cmlx:templateRef="delta">
                        <array dataType="xsd:string" dictRef="cc:variable" size="304">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 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 A96 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 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157</array>
                        <array dataType="xsd:double" dictRef="g:lastval" size="304">3.51049 3.61665 3.62774 3.52643 3.47663 2.64196 2.58620 2.81063 2.52757 2.81166 2.53224 2.63934 2.58417 2.68915 2.64461 2.64393 2.63613 2.04204 2.63619 2.04213 2.65622 3.30046 3.30016 2.89723 2.91166 2.92005 2.34691 2.06271 2.06624 2.06730 2.06627 2.06019 2.06801 2.89819 2.34831 2.91409 2.91652 2.06640 2.06260 2.06812 2.06040 2.06626 2.06804 2.92921 2.35914 2.93392 2.35754 2.58124 2.64659 2.67935 1.85057 1.47293 2.65080 1.45219 1.52706 1.70909 2.71567 1.78425 1.45966 2.07614 1.71282 1.98393 2.06535 2.22289 2.01474 2.17990 2.08855 2.02407 2.17147 2.08370 1.98320 2.07853 2.22045 1.95575 2.22738 2.10005 1.95558 2.22825 2.09925 2.07453 2.10750 2.10114 2.07503 2.10751 2.10064 2.10860 2.06394 2.11065 2.10884 2.06366 2.11068 1.87458 1.94177 1.95185 1.88938 1.85610 1.94557 1.98317 2.17184 2.12726 1.92280 1.90813 1.93042 1.89771 1.90527 1.89904 1.90228 1.92590 1.92835 1.90272 1.89837 1.90582 1.98001 2.17578 2.12676 1.87186 1.94193 1.95214 1.88115 1.86572 1.94635 1.90597 1.92580 1.92990 1.89808 1.89834 1.90526 1.92586 1.90338 1.92864 1.90228 1.90547 1.89779 2.00483 2.22921 2.04766 2.01091 2.22671 2.04326 2.12060 1.88269 1.86241 1.88125 1.86086 1.83717 1.93544 1.79467 3.13639 -0.15236 1.45519 -1.83356 0.36235 -2.92640 -1.35690 1.63754 0.10494 -3.03636 2.75388 -0.38743 1.14731 -1.99399 -1.39957 1.74231 -1.20790 2.02996 -2.82987 0.40799 -0.11672 3.12114 1.55528 -1.49005 -0.35090 2.83525 -1.39715 1.78900 -3.05784 0.12831 1.15833 -1.93871 2.93751 -1.88466 -0.02889 1.49295 -0.30192 2.83743 3.00277 -0.14107 0.16210 -3.02462 3.13392 -0.05279 -0.04607 2.01873 -2.07619 3.09525 -1.12314 1.06513 -0.12939 3.07291 3.01250 -0.06839 0.08597 -1.96730 2.12624 3.13643 1.08316 -1.10648 0.09096 -3.12630 -2.95130 0.11463 0.26917 -2.85702 -2.92133 0.23567 -0.10942 3.07031 3.08345 -0.02001 0.01971 -3.13601 -3.11983 0.00765 3.13197 -0.00472 -0.01203 3.13446 3.12660 -0.01006 0.00154 -3.13511 0.00747 -3.13584 -3.13900 0.00088 -0.00617 3.14034 3.13050 -0.00617 0.00168 3.13822 -3.13815 -0.00161 -0.06787 3.11755 -2.16625 1.01917 2.02434 -1.07343 1.14188 -3.05687 -0.96609 -3.08544 -1.00100 1.08977 -1.04988 1.03456 3.12533 3.01525 -1.17909 0.93025 0.97396 3.06280 -1.11104 -1.08177 1.00708 3.11642 0.01094 2.10347 -2.08532 3.11560 -1.07505 1.01934 3.05392 -1.14388 0.96571 1.00628 3.09167 -1.08193 -1.03640 1.04898 -3.12461 1.17150 -3.02273 -0.93758 -3.06772 -0.97875 1.10640 -1.01570 1.07326 -3.12478 0.83508 3.01732 -1.29927 -2.36055 -0.17832 1.78829 -0.81431 -2.99721 1.32076 2.39461 0.21171 -1.75350 -1.48590</array>
                        <array dataType="xsd:double" dictRef="cc:deriv" size="304">-0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00002 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000</array>
                        <array dataType="xsd:double" dictRef="cc:delta.linear" size="304">0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                        <array dataType="xsd:double" dictRef="cc:delta.quad" size="304">-0.00007 0.00004 0.00004 0.00001 0.00000 0.00002 0.00007 0.00001 -0.00002 0.00002 -0.00001 -0.00004 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00002 -0.00001 -0.00004 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00003 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00002 0.00001 0.00003 0.00001 -0.00001 0.00002 -0.00002 -0.00000 0.00002 -0.00026 -0.00002 0.00004 -0.00010 0.00005 0.00022 0.00001 0.00020 -0.00027 -0.00001 -0.00001 -0.00004 -0.00005 0.00008 -0.00003 -0.00005 0.00001 -0.00000 -0.00002 -0.00002 0.00004 -0.00003 0.00005 -0.00001 -0.00000 -0.00002 0.00002 -0.00000 0.00002 -0.00002 -0.00001 -0.00002 0.00003 0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00002 0.00000 0.00002 -0.00008 0.00002 0.00003 -0.00001 -0.00002 0.00003 0.00001 0.00000 -0.00002 0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00011 0.00004 -0.00009 0.00003 0.00012 0.00003 0.00002 -0.00008 -0.00000 0.00001 0.00002 0.00003 0.00002 -0.00003 0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00003 -0.00001 -0.00002 0.00008 0.00001 -0.00003 0.00001 -0.00008 0.00000 0.00009 -0.00001 0.00023 -0.00023 0.00044 -0.00002 0.00017 -0.00028 0.00044 -0.00001 0.00045 -0.00024 0.00019 -0.00050 0.00038 -0.00030 0.00043 -0.00026 -0.00062 -0.00004 -0.00041 0.00017 -0.00036 0.00022 -0.00067 -0.00009 -0.00013 -0.00016 -0.00007 -0.00010 0.00015 0.00013 -0.00006 -0.00008 0.00037 0.00038 0.00048 0.00036 -0.00017 -0.00023 0.00033 0.00027 -0.00004 0.00004 -0.00056 -0.00048 -0.00055 -0.00064 -0.00059 0.00010 0.00001 0.00006 0.00064 0.00065 -0.00007 -0.00007 0.00048 0.00064 0.00054 -0.00006 0.00010 -0.00001 -0.00009 -0.00018 0.00051 0.00042 0.00007 0.00018 0.00009 0.00021 0.00012 0.00007 0.00010 0.00004 0.00006 -0.00005 0.00011 0.00001 0.00006 0.00005 -0.00001 -0.00002 -0.00012 -0.00010 0.00000 0.00002 -0.00000 -0.00002 0.00001 -0.00001 -0.00001 0.00001 -0.00003 -0.00000 0.00001 -0.00001 0.00003 0.00000 0.00037 0.00030 0.00041 0.00033 0.00041 0.00034 0.00004 0.00005 0.00005 0.00001 0.00002 0.00002 -0.00001 0.00000 0.00000 0.00006 0.00007 0.00008 0.00002 0.00003 0.00004 0.00010 0.00011 0.00011 -0.00038 -0.00055 -0.00044 -0.00032 -0.00049 -0.00038 0.00022 0.00025 0.00023 0.00032 0.00035 0.00033 0.00027 0.00030 0.00029 0.00001 0.00004 0.00002 0.00005 0.00009 0.00007 0.00003 0.00007 0.00005 -0.00048 -0.00039 -0.00040 -0.00048 -0.00039 -0.00040 0.00016 0.00007 0.00010 0.00024 0.00015 0.00018 0.00023</array>
                        <array dataType="xsd:double" dictRef="cc:delta.total" size="304">-0.00007 0.00004 0.00004 0.00001 0.00000 0.00002 0.00007 0.00001 -0.00002 0.00002 -0.00001 -0.00004 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00002 -0.00001 -0.00004 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00003 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00002 0.00001 0.00003 0.00001 -0.00001 0.00002 -0.00002 -0.00000 0.00002 -0.00026 -0.00002 0.00004 -0.00010 0.00005 0.00022 0.00001 0.00020 -0.00027 -0.00001 -0.00001 -0.00004 -0.00005 0.00008 -0.00003 -0.00005 0.00001 -0.00000 -0.00002 -0.00002 0.00004 -0.00003 0.00005 -0.00001 -0.00000 -0.00002 0.00002 -0.00000 0.00002 -0.00002 -0.00001 -0.00002 0.00003 0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00002 0.00000 0.00002 -0.00008 0.00002 0.00003 -0.00001 -0.00002 0.00003 0.00001 0.00000 -0.00002 0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00011 0.00004 -0.00009 0.00003 0.00012 0.00003 0.00002 -0.00008 -0.00000 0.00001 0.00002 0.00003 0.00002 -0.00003 0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00003 -0.00001 -0.00002 0.00008 0.00001 -0.00003 0.00001 -0.00008 0.00000 0.00009 -0.00001 0.00023 -0.00023 0.00044 -0.00002 0.00017 -0.00028 0.00044 -0.00001 0.00045 -0.00024 0.00019 -0.00050 0.00038 -0.00030 0.00043 -0.00026 -0.00062 -0.00004 -0.00041 0.00017 -0.00036 0.00022 -0.00067 -0.00009 -0.00013 -0.00016 -0.00007 -0.00010 0.00015 0.00013 -0.00006 -0.00008 0.00037 0.00038 0.00048 0.00036 -0.00017 -0.00023 0.00033 0.00027 -0.00004 0.00004 -0.00056 -0.00048 -0.00055 -0.00064 -0.00059 0.00010 0.00001 0.00006 0.00064 0.00065 -0.00007 -0.00007 0.00048 0.00064 0.00054 -0.00006 0.00010 -0.00001 -0.00009 -0.00018 0.00051 0.00042 0.00007 0.00018 0.00009 0.00021 0.00012 0.00007 0.00010 0.00004 0.00006 -0.00005 0.00011 0.00001 0.00006 0.00005 -0.00001 -0.00002 -0.00012 -0.00010 0.00000 0.00002 -0.00000 -0.00002 0.00001 -0.00001 -0.00001 0.00001 -0.00003 -0.00000 0.00001 -0.00001 0.00003 0.00000 0.00037 0.00030 0.00041 0.00033 0.00041 0.00034 0.00004 0.00005 0.00005 0.00001 0.00002 0.00002 -0.00001 0.00000 0.00000 0.00006 0.00007 0.00008 0.00002 0.00003 0.00004 0.00010 0.00011 0.00011 -0.00038 -0.00055 -0.00044 -0.00032 -0.00049 -0.00038 0.00022 0.00025 0.00023 0.00032 0.00035 0.00033 0.00027 0.00030 0.00029 0.00001 0.00004 0.00002 0.00005 0.00009 0.00007 0.00003 0.00007 0.00005 -0.00048 -0.00039 -0.00040 -0.00048 -0.00039 -0.00040 0.00016 0.00007 0.00010 0.00024 0.00015 0.00018 0.00023</array>
                        <array dataType="xsd:double" dictRef="cc:newval" size="304">3.51043 3.61669 3.62778 3.52644 3.47663 2.64197 2.58627 2.81064 2.52756 2.81168 2.53223 2.63929 2.58416 2.68916 2.64462 2.64394 2.63613 2.04204 2.63618 2.04213 2.65623 3.30046 3.30015 2.89725 2.91167 2.92004 2.34687 2.06271 2.06623 2.06730 2.06627 2.06018 2.06802 2.89819 2.34831 2.91409 2.91649 2.06640 2.06260 2.06813 2.06040 2.06625 2.06804 2.92919 2.35915 2.93395 2.35754 2.58122 2.64661 2.67933 1.85057 1.47295 2.65055 1.45217 1.52710 1.70899 2.71572 1.78447 1.45967 2.07633 1.71255 1.98392 2.06534 2.22285 2.01469 2.17998 2.08852 2.02402 2.17148 2.08369 1.98318 2.07852 2.22049 1.95572 2.22742 2.10004 1.95558 2.22823 2.09927 2.07453 2.10753 2.10112 2.07502 2.10749 2.10066 2.10861 2.06393 2.11064 2.10883 2.06367 2.11067 1.87460 1.94177 1.95187 1.88930 1.85612 1.94560 1.98316 2.17182 2.12730 1.92281 1.90814 1.93040 1.89771 1.90527 1.89905 1.90228 1.92591 1.92834 1.90272 1.89836 1.90582 1.98002 2.17577 2.12675 1.87187 1.94182 1.95218 1.88106 1.86575 1.94647 1.90600 1.92581 1.92982 1.89808 1.89835 1.90528 1.92590 1.90340 1.92861 1.90228 1.90546 1.89778 2.00483 2.22923 2.04764 2.01094 2.22669 2.04324 2.12068 1.88270 1.86237 1.88126 1.86078 1.83718 1.93553 1.79466 3.13662 -0.15259 1.45562 -1.83358 0.36252 -2.92669 -1.35645 1.63753 0.10540 -3.03660 2.75407 -0.38793 1.14770 -1.99430 -1.39914 1.74205 -1.20852 2.02992 -2.83028 0.40816 -0.11708 3.12136 1.55461 -1.49014 -0.35104 2.83509 -1.39723 1.78890 -3.05768 0.12844 1.15827 -1.93879 2.93788 -1.88427 -0.02842 1.49332 -0.30209 2.83720 3.00310 -0.14080 0.16206 -3.02458 3.13336 -0.05328 -0.04662 2.01809 -2.07678 3.09535 -1.12313 1.06519 -0.12875 3.07355 3.01243 -0.06846 0.08645 -1.96666 2.12678 3.13637 1.08326 -1.10649 0.09087 -3.12649 -2.95079 0.11504 0.26923 -2.85684 -2.92123 0.23588 -0.10929 3.07038 3.08354 -0.01997 0.01976 -3.13605 -3.11971 0.00765 3.13203 -0.00468 -0.01204 3.13444 3.12648 -0.01016 0.00154 -3.13509 0.00747 -3.13586 -3.13899 0.00087 -0.00618 3.14036 3.13047 -0.00617 0.00170 3.13821 -3.13812 -0.00161 -0.06749 3.11785 -2.16584 1.01950 2.02476 -1.07309 1.14192 -3.05682 -0.96605 -3.08543 -1.00098 1.08979 -1.04989 1.03456 3.12533 3.01531 -1.17902 0.93033 0.97398 3.06283 -1.11100 -1.08167 1.00719 3.11653 0.01056 2.10292 -2.08576 3.11528 -1.07555 1.01896 3.05414 -1.14363 0.96594 1.00661 3.09202 -1.08159 -1.03613 1.04928 -3.12433 1.17150 -3.02268 -0.93755 -3.06767 -0.97866 1.10646 -1.01568 1.07333 -3.12473 0.83460 3.01693 -1.29966 -2.36103 -0.17871 1.78789 -0.81415 -2.99714 1.32086 2.39485 0.21187 -1.75332 -1.48567</array>
                     </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>
                        <array dataType="xsd:double" dictRef="g:value" size="4">0.000018 0.000003 0.001983 0.000483</array>
                        <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">-3.207223e-08</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.catchall">
                     <list cmlx:templateRef="l103.discard">
                        <scalar dataType="xsd:string" dictRef="x:discard"/>
                     </list>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">Matrix inversion</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">Water</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">78.355300</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.777849</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="1128">0.000000 1.857674 0.000000 1.913851 2.533580 0.000000 1.919720 3.664259 2.891563 0.000000 1.866106 2.472427 3.694581 2.524491 0.000000 2.736961 1.398064 3.889311 4.370378 2.338339 0.000000 2.742696 2.339615 4.392230 3.878163 1.396677 1.423038 0.000000 4.087924 2.510319 5.022532 5.769216 3.647613 1.399469 2.448375 0.000000 4.096545 3.648404 5.790221 5.019621 2.509286 2.447502 1.399109 2.835070 0.000000 5.076985 3.739960 6.266150 6.571959 4.177907 2.406069 2.791356 1.394980 2.435465 0.000000 4.579756 2.811077 5.135516 6.377953 4.499784 2.161639 3.432789 1.080601 3.915646 2.153756 0.000000 5.080426 4.178704 6.586299 6.259398 3.738896 2.790603 2.406142 2.435271 1.395012 1.405610 3.414814 0.000000 4.593228 4.500901 6.403648 5.141214 2.810755 3.432153 2.161356 3.915662 1.080649 3.414788 4.996211 2.153519 0.000000 2.884463 2.430095 1.487322 4.252663 4.430269 3.787661 4.715882 4.589652 6.065254 5.953973 4.401766 6.575983 6.862268 0.000000 2.781598 1.368557 2.434521 4.525368 3.804411 2.479870 3.660359 3.086786 4.895346 4.467399 2.881815 5.207093 5.809634 1.533150 0.000000 3.970791 2.310339 3.613423 5.739525 4.748194 2.921134 4.292816 2.946159 5.327727 4.304666 2.331693 5.319603 6.338005 2.429889 1.241931 0.000000 3.927309 3.513786 2.499538 5.320653 5.578917 4.756337 5.784282 5.345452 7.083647 6.719828 4.963922 7.474500 7.918806 1.540782 2.490861 2.962091 0.000000 4.497817 4.405081 2.797029 5.586372 6.269763 5.717091 6.645938 6.394698 7.986790 7.768997 6.040147 8.468180 8.765227 2.173749 3.449056 3.968711 1.091542 0.000000 4.737158 3.932032 3.434939 6.256427 6.229130 5.027973 6.223913 5.348266 7.444896 6.721680 4.761733 7.647216 8.362966 2.164424 2.691069 2.670869 1.093405 1.775811 0.000000 3.764859 3.492417 2.726191 5.242131 5.388833 4.610310 5.568257 5.193964 6.814575 6.502501 4.883594 7.206530 7.624103 2.181093 2.752751 3.282925 1.093970 1.781073 1.778635 0.000000 3.970205 3.425330 2.511824 4.996259 5.304329 4.670033 5.586059 5.366293 6.890989 6.700875 5.098302 7.359569 7.678121 1.545223 2.464103 2.950271 2.550455 2.795578 2.776495 3.502578 0.000000 4.752567 3.821816 3.439531 5.966427 5.952593 4.909049 6.002851 5.329935 7.221759 6.661556 4.865006 7.492977 8.095869 2.164032 2.639032 2.627427 2.794416 3.159158 2.573785 3.786299 1.093422 0.000000 4.559573 4.344406 2.830374 5.307046 6.046872 5.653918 6.488525 6.414487 7.829917 7.756179 6.147922 8.375568 8.564803 2.178921 3.428878 3.947883 2.779589 2.580509 3.100450 3.790162 1.090203 1.777919 0.000000 3.829536 3.349521 2.724425 4.643154 4.891226 4.473610 5.220833 5.255201 6.481224 6.493917 5.143263 7.021348 7.200454 2.183794 2.728582 3.293995 3.500990 3.789980 3.783951 4.338773 1.094346 1.778528 1.780636 0.000000 2.798894 3.791480 4.552805 2.432934 1.367482 3.651760 2.476165 4.889199 3.089742 5.204784 5.801362 4.468783 2.891389 5.516284 5.078315 6.063175 6.700665 7.272869 7.434638 6.520113 6.273160 7.020872 6.903859 5.741836 0.000000 2.898397 4.409730 4.271657 1.487868 2.427142 4.702930 3.782580 6.054403 4.592672 6.570879 6.847722 5.954736 4.412845 5.518030 5.506103 6.641563 6.664391 7.018848 7.540689 6.539543 6.197706 7.108309 6.604358 5.685465 1.533654 0.000000 3.989806 4.735729 5.768029 3.612813 2.312405 4.286372 2.920578 5.324597 2.954735 5.321547 6.332268 4.311531 2.351353 6.651851 6.063828 6.935934 7.851754 8.471416 8.529953 7.652065 7.355286 8.040742 8.034774 6.754830 1.242672 2.430632 0.000000 3.911384 5.548879 5.293050 2.501190 3.478083 5.760718 4.738211 7.065420 5.343133 7.466036 7.897304 6.719133 4.969951 6.632113 6.667996 7.819159 7.579525 7.876192 8.520746 7.283745 7.473525 8.407405 7.806930 7.073289 2.484869 1.542070 2.978861 0.000000 4.726265 6.202208 6.240845 3.435381 3.899954 6.202983 5.010910 7.429691 5.346070 7.641122 8.345086 6.722290 4.767118 7.518108 7.409494 8.505415 8.524529 8.879898 9.425400 8.223239 8.321778 9.219429 8.716727 7.842868 2.683824 2.164030 2.687494 1.093492 0.000000 4.483769 6.240399 5.557542 2.802078 4.376932 6.623840 5.701786 7.968921 6.393677 8.459906 8.743337 7.768750 6.047410 6.985938 7.240248 8.439027 7.877440 8.028582 8.876915 7.623461 7.751133 8.750513 7.938959 7.373150 3.446279 2.177015 3.982508 1.091481 1.776073 0.000000 3.725527 5.349484 5.176871 2.727400 3.429829 5.532801 4.578736 6.786235 5.183408 7.190475 7.593154 6.495668 4.881409 6.478882 6.465876 7.596407 7.257253 7.594487 8.197190 6.816147 7.511281 8.405905 7.872775 7.249907 2.741051 2.182178 3.306032 1.094403 1.778609 1.781371 0.000000 4.008116 5.296374 5.065265 2.510962 3.458413 5.587703 4.680958 6.891642 5.377251 7.362133 7.674330 6.707079 5.116558 6.236900 6.292028 7.376039 7.536441 7.817377 8.370808 7.597414 6.573102 7.489517 6.914593 5.859531 2.471853 1.543354 2.936167 2.550650 2.776291 2.798551 3.502422 0.000000 4.586369 6.030190 5.361194 2.825915 4.367803 6.483361 5.659773 7.824117 6.423602 8.373947 8.553280 7.760499 6.166231 6.629879 6.910475 8.043758 7.860068 7.996091 8.755548 7.951417 6.897850 7.882866 7.075401 6.222178 3.434964 2.177327 3.940177 2.783445 3.107146 2.587617 3.793116 1.090317 0.000000 4.792235 5.953704 6.037269 3.439783 3.859807 6.014908 4.929179 7.234668 5.351033 7.508188 8.104760 6.679410 4.892620 7.154927 7.050212 8.074240 8.472382 8.817442 9.273197 8.490235 7.504499 8.368982 7.912516 6.747111 2.652003 2.163196 2.617469 2.791397 2.569853 3.155515 3.784219 1.093416 1.777727 0.000000 3.888868 4.893553 4.755065 2.726701 3.405109 5.230300 4.491636 6.485702 5.264335 7.022464 7.201010 6.495691 5.157544 5.757658 5.783273 6.797172 7.164294 7.469961 7.915852 7.361355 5.890795 6.756196 6.273619 5.069268 2.735905 2.182363 3.265092 3.501540 3.781634 3.795541 4.338721 1.094357 1.780519 1.778164 0.000000 2.894987 3.859164 1.337535 3.101910 4.654420 5.192056 5.554894 6.356785 6.941340 7.583513 6.463648 7.833442 7.448745 2.443420 3.699887 4.809851 3.049687 2.840822 4.063565 3.338159 3.035330 4.061104 2.853280 3.282783 5.247232 4.578300 6.483121 5.439190 6.467085 5.437076 5.399345 5.229618 5.249527 6.287289 5.009380 0.000000 2.896343 4.633566 3.101183 1.340004 3.855188 5.540341 5.185804 6.926316 6.356206 7.823580 7.429216 7.579776 6.469547 4.566131 5.228524 6.464484 5.469893 5.470298 6.487683 5.461580 5.173418 6.232635 5.205324 4.912875 3.699965 2.442549 4.810013 3.028432 4.046913 2.819910 3.307313 3.051988 2.864736 4.071601 3.317983 2.707053 0.000000 3.094651 4.619433 2.436282 2.445155 4.619370 5.775993 5.777367 7.073634 7.076888 8.153900 7.372730 8.155302 7.378251 3.831615 4.844607 6.043519 4.405793 4.198088 5.471809 4.424023 4.507136 5.558234 4.338112 4.559645 4.848196 3.832918 6.047489 4.366299 5.437924 4.155290 4.361885 4.539026 4.361976 5.581925 4.625015 1.550069 1.552562 0.000000 4.092460 4.797223 2.321826 4.281278 5.848661 6.179711 6.680233 7.239423 8.076730 8.531663 7.202039 8.896403 8.630170 2.854893 4.334367 5.272721 3.112910 2.505677 4.009764 3.635561 3.012441 3.954045 2.399975 3.453718 6.453592 5.737687 7.681011 6.587600 7.622392 6.479649 6.578649 6.236166 6.143091 7.317034 5.939704 1.248404 3.698399 2.395334 0.000000 4.094697 5.827425 4.288318 2.321876 4.793658 6.665717 6.172812 8.062069 7.238032 8.886635 8.611085 8.527588 7.207162 5.732281 6.439145 7.667635 6.620241 6.515966 7.645266 6.639052 6.189966 7.269977 6.109396 5.855005 4.332010 2.850597 5.269252 3.088192 3.989703 2.477826 3.604143 3.026828 2.413931 3.959590 3.486526 3.704272 1.247554 2.393688 4.485642 0.000000 4.442214 5.905138 3.564140 3.568953 5.907502 7.100425 7.102231 8.388482 8.392263 9.490584 8.643140 9.492216 8.649847 4.803059 5.996353 7.148143 5.228252 4.760030 6.267887 5.352102 5.210815 6.265066 4.772729 5.283745 5.999494 4.802772 7.150551 5.189784 6.234467 4.716192 5.293747 5.240703 4.795716 6.286632 5.347226 2.359646 2.360493 1.365933 2.558342 2.557312 0.000000 3.307198 4.859232 2.953802 2.972590 4.834209 5.918591 5.911622 7.156487 7.147792 8.192886 7.455796 8.189295 7.439899 4.258365 5.139102 6.307057 4.472698 4.314259 5.562964 4.159666 5.275752 6.233844 5.180264 5.504574 5.123269 4.243167 6.293374 4.402468 5.491027 4.239300 4.065721 5.282847 5.180042 6.225779 5.548425 2.369052 2.369749 1.400517 3.170303 3.151439 2.198720 0.000000 1.839753 2.556708 2.922201 3.238757 2.799814 3.080147 3.209699 4.126099 4.322954 5.025008 4.545457 5.106747 4.854750 3.587685 3.318721 4.294278 3.983493 4.644569 4.747131 3.331407 5.030617 5.641395 5.597756 5.205719 3.755287 4.037164 4.768880 4.499067 5.284109 5.120790 3.857625 5.434118 5.985549 6.089777 5.534467 3.811448 4.031752 3.911149 4.913606 5.184789 5.235706 3.410639 0.000000 6.713079 5.212688 7.718598 8.288005 5.922409 4.004294 4.537850 2.702420 4.047025 1.746530 2.833988 2.747696 4.901147 7.176892 5.646432 5.138399 7.761246 8.844580 7.547169 7.557305 7.826048 7.573473 8.899969 7.700619 6.938969 8.316743 6.977215 9.193489 9.337450 10.195474 8.881337 9.074245 10.093737 9.187558 8.687392 9.054503 9.515486 9.748066 9.908324 10.602749 11.075668 9.750974 6.517026 0.000000 6.718660 5.923038 8.303234 7.717151 5.211331 4.536931 4.003886 4.046756 2.702081 2.747574 4.901278 1.746369 2.833050 8.321949 6.941037 6.974834 9.199159 10.201606 9.340221 8.892735 9.074321 9.174093 10.097947 8.691469 5.651041 7.182699 5.150203 7.770781 7.558233 8.854177 7.563785 7.833188 8.907755 7.592088 7.698229 9.526521 9.054732 9.750382 10.613568 9.908387 11.078553 9.743408 6.659185 3.201038 0.000000 2.693598 3.891029 3.788122 3.294214 3.405332 4.306198 4.073479 5.368644 4.999325 6.086285 5.878438 5.928710 5.270125 4.741103 4.691236 5.702438 5.024767 5.488716 5.890407 4.291154 6.153348 6.869129 6.572768 6.302989 3.913680 3.914442 4.846386 3.873918 4.675931 4.393474 3.009286 5.428454 5.841024 6.025217 5.795767 4.306075 3.888995 3.896675 5.418188 4.847769 5.100881 3.052422 1.417852 7.597403 7.306963 0.000000 2.972863 4.104843 4.425715 3.427989 3.099779 4.223790 3.709596 5.259287 4.425777 5.771088 5.916198 5.413708 4.554256 5.369860 5.110272 6.081797 5.802914 6.343247 6.616665 5.100266 6.733142 7.431130 7.238112 6.761763 3.438850 3.663915 4.193296 3.481147 4.108105 4.174676 2.547593 5.204902 5.719249 5.641000 5.653138 5.032084 4.224519 4.546226 6.203974 5.090751 5.761248 3.830400 1.893618 7.310575 6.657690 0.979281 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.stoich">
                     <scalar cmlx:templateRef="stoich"
                             dataType="xsd:string"
                             dictRef="g:stoichiometry">C17H15Cl2F2FeN4O6(1-,3)</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                  </module>
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="-1"
                               id="mol.l202.orient"
                               spinMultiplicity="3">
                        <atomArray>
                           <atom elementType="Fe"
                                 id="a1"
                                 x3="0.749401"
                                 y3="0.021733"
                                 z3="0.189691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a2"
                                 x3="-0.584097"
                                 y3="1.245897"
                                 z3="-0.227627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a3"
                                 x3="1.938281"
                                 y3="1.477275"
                                 z3="-0.171958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a4"
                                 x3="1.937384"
                                 y3="-1.4124"
                                 z3="-0.276448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a5"
                                 x3="-0.579341"
                                 y3="-1.226453"
                                 z3="-0.208841">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-1.876161"
                                 y3="0.718294"
                                 z3="-0.145236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-1.873541"
                                 y3="-0.704737"
                                 z3="-0.149128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="-3.082762"
                                 y3="1.422433"
                                 z3="-0.06267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-3.078377"
                                 y3="-1.412583"
                                 z3="-0.079627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="-4.277769"
                                 y3="0.705553"
                                 z3="0.000678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a11"
                                 x3="-3.092352"
                                 y3="2.502944"
                                 z3="-0.052564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="-4.275579"
                                 y3="-0.700024"
                                 z3="-0.00873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="-3.084944"
                                 y3="-2.493206"
                                 z3="-0.076048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="1.283633"
                                 y3="2.786745"
                                 z3="-0.434353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="-0.231817"
                                 y3="2.557333"
                                 z3="-0.397874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.039986"
                                 y3="3.486265"
                                 z3="-0.560173">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a17"
                                 x3="1.641913"
                                 y3="3.818143"
                                 z3="0.652782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="2.708377"
                                 y3="4.047955"
                                 z3="0.616664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="1.078269"
                                 y3="4.738651"
                                 z3="0.478128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="1.390787"
                                 y3="3.43386"
                                 z3="1.645773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a21"
                                 x3="1.609032"
                                 y3="3.318845"
                                 z3="-1.848107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.006589"
                                 y3="4.210936"
                                 z3="-2.039957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="2.664805"
                                 y3="3.580758"
                                 z3="-1.920826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="1.372436"
                                 y3="2.56472"
                                 z3="-2.605016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a25"
                                 x3="-0.220186"
                                 y3="-2.520503"
                                 z3="-0.466619">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a26"
                                 x3="1.297466"
                                 y3="-2.730333"
                                 z3="-0.535885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-1.020616"
                                 y3="-3.448751"
                                 z3="-0.671318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a28"
                                 x3="1.680302"
                                 y3="-3.76053"
                                 z3="0.545832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="1.123878"
                                 y3="-4.686065"
                                 z3="0.374063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="2.748569"
                                 y3="-3.979678"
                                 z3="0.499892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="1.433884"
                                 y3="-3.381368"
                                 z3="1.542442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a32"
                                 x3="1.613805"
                                 y3="-3.253419"
                                 z3="-1.953014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="2.673723"
                                 y3="-3.493624"
                                 z3="-2.040563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="1.02752"
                                 y3="-4.157434"
                                 z3="-2.138985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="1.351815"
                                 y3="-2.503505"
                                 z3="-2.705748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a36"
                                 x3="3.272413"
                                 y3="1.386506"
                                 z3="-0.201152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a37"
                                 x3="3.274166"
                                 y3="-1.319558"
                                 z3="-0.274319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a38"
                                 x3="3.843211"
                                 y3="0.021764"
                                 z3="0.261865">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a39"
                                 x3="4.092577"
                                 y3="2.280336"
                                 z3="-0.495958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a40"
                                 x3="4.098807"
                                 y3="-2.204522"
                                 z3="-0.5796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="F"
                                 id="a41"
                                 x3="5.188589"
                                 y3="0.028326"
                                 z3="0.025886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="F"
                                 id="a42"
                                 x3="3.713601"
                                 y3="-0.016829"
                                 z3="1.655838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a43"
                                 x3="0.33063"
                                 y3="0.291387"
                                 z3="1.960738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a44"
                                 x3="-5.774734"
                                 y3="1.600347"
                                 z3="0.094516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a45"
                                 x3="-5.76944"
                                 y3="-1.600631"
                                 z3="0.075489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a46"
                                 x3="0.955319"
                                 y3="-0.681216"
                                 z3="2.781781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a47"
                                 x3="0.325536"
                                 y3="-1.430405"
                                 z3="2.7489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a15" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a36" order="S"/>
                           <bond atomRefs2="a4 a26" order="S"/>
                           <bond atomRefs2="a4 a37" order="S"/>
                           <bond atomRefs2="a5 a7" order="S"/>
                           <bond atomRefs2="a5 a25" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a11" order="S"/>
                           <bond atomRefs2="a9 a12" order="S"/>
                           <bond atomRefs2="a9 a13" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a10 a12" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a14 a21" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a14 a15" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a17 a20" order="S"/>
                           <bond atomRefs2="a17 a19" order="S"/>
                           <bond atomRefs2="a17 a18" order="S"/>
                           <bond atomRefs2="a21 a24" order="S"/>
                           <bond atomRefs2="a21 a22" order="S"/>
                           <bond atomRefs2="a21 a23" order="S"/>
                           <bond atomRefs2="a25 a26" order="S"/>
                           <bond atomRefs2="a25 a27" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a28 a31" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                           <bond atomRefs2="a32 a35" order="S"/>
                           <bond atomRefs2="a32 a34" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                           <bond atomRefs2="a36 a38" order="S"/>
                           <bond atomRefs2="a36 a39" order="S"/>
                           <bond atomRefs2="a37 a38" order="S"/>
                           <bond atomRefs2="a37 a40" order="S"/>
                           <bond atomRefs2="a38 a42" order="S"/>
                           <bond atomRefs2="a38 a41" order="S"/>
                           <bond atomRefs2="a43 a46" order="S"/>
                           <bond atomRefs2="a46 a47" order="S"/>
                        </bondArray>
                        <formula concise="C 17 H 15 Cl 2 F 2 Fe 1 N 4 O 6"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">520.9529063999997</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C17H14Cl2F2N4O4.Fe.H2O2/c1-15(2)11(26)22-9-5-7(18)8(19)6-10(9)23-12(27)16(3,4)25-14(29)17(20,21)13(28)24-15;;1-2/h5-6H,1-4H3;;1-2H/q-4;+5;/p-1">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:17,21,28,32,8,9,10,12,6,7,15,25,36,37,14,26,38,44,45,41,42,2,5,3,4,16,27,39,40;1;43,46/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29);;(1,2)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,22-1,23-1,24-1,25-1,26.1,27.1,28.1,29.1;;/rA:47FeNNNNC3C3C3C3C3HC3HCC3O1CHHHCHHHC3CO1CHHHCHHHC3C3CO1O1FFOClClOH/rB:s1;s1;s1;s1;s2;s5s6;s6;s7;s8;s8;s9s10;s9;s3;s2s14;s15;s14;s17;s17;s17;s14;s21;s21;s21;s5;s4s25;s25;s26;s28;s28;s28;s26;s32;s32;s32;s3;s4;s36s37;s36;s37;s38;s38;s1;s10;s12;s43;s46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.2022949 0.0891359 0.0689143</array>
                  </module>
               </module>
               <module cmlx:templateRef="l302">
                  <module cmlx:templateRef="l302.basis">
                     <list cmlx:templateRef="basis">
                        <array dataType="xsd:string" dictRef="g:basis" size="11">NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="8">NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="5">One-electron integrals computed using PRISM.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="6">1 Symmetry operations used in ECPInt.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="9">ECPInt: NShTT= 18915 NPrTT= 106678 LenC2= 15838 LenP2D= 50495.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="6">LDataN: DoStor=T MaxTD1= 6 Len= 172</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="8">NBasis= 602 RedAO= T EigKep= 1.52D-04 NBF= 602</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 602 1.00D-06 EigRej= -1.00D+00 NBFU= 602</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l302.basis2">
                     <list cmlx:templateRef="basis">
                        <array dataType="xsd:string" dictRef="g:basis" size="5">Precomputing XC quadrature grid using</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="10">IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="9">Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="10">NSgBfM= 628 629 629 629 629 MxSgAt= 47 MxSgA2= 47.</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l303.basis">
                  <list cmlx:templateRef="l303">
                     <scalar dataType="xsd:integer" dictRef="g:dipdrv">1</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l502">
                  <scalar dataType="xsd:string" dictRef="g:l502.type">open</scalar>
                  <module cmlx:templateRef="l502.cycle">
                     <list cmlx:templateRef="cycle">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="cc:cycle">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:pass">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:idiag">1</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="l502.e">
                        <list cmlx:templateRef="l502.e">
                           <scalar dataType="xsd:double" dictRef="g:l502.e">-2570.95726210323</scalar>
                        </list>
                     </module>
                  </module>
                  <module cmlx:templateRef="l502.footer">
                     <list cmlx:templateRef="scfdone">
                        <list>
                           <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-2570.95726210</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">1</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="ssquared">
                        <list cmlx:templateRef="ssquared">
                           <scalar dataType="xsd:double" dictRef="g:ssquared">2.1001</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">2.505227727822e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-1.469496223913e+04</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">5.309317090814e+03</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <list cmlx:templateRef="l502">
                     <scalar dataType="xsd:string" dictRef="g:l502">Using DIIS extrapolation, IDIIS=  1040.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Integral symmetry usage will be decided dynamically.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=     1269920 IEndB=     1269920 NGot= 13421772800 MDV= 13420927203</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX= 13420927203 LenY= 13420519521</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on MAX density matrix=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on             energy=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">No special actions if energy rises.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Fock matrices will be formed incrementally for  20 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502"/>
                  </list>
               </module>
               <module cmlx:templateRef="l502.footer2">
                  <scalar dataType="xsd:double" dictRef="cc:spincontamination">2.1001</scalar>
               </module>
               <module cmlx:templateRef="l1101">
                  <list cmlx:templateRef="l1101">
                     <scalar dataType="xsd:string" dictRef="g:l1101">Using compressed storage, NAtomX=    47.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1101">Will process     48 centers per pass.</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l1002.minotr">
                  <list cmlx:templateRef="l1002">
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="5">Minotr: UHF open shell wavefunction.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="1">IDoAtm=11111111111111111111111111111111111111111111111</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="9">NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778)</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="3">Direct CPHF calculation.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="7">Differentiating once with respect to electric field.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="5">with respect to dipole field.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="7">Differentiating once with respect to nuclear coordinates.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="8">Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="8">Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="7">NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="5">MDV= 13421771122 using IRadAn= 2.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="5">Generate precomputed XC quadrature information.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="6">Solving linear equations simultaneously, MaxMat= 0.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="11">FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="10">IRaf= 740000000 NMat= 144 IRICut= 360 DoRegI=T DoRafI=T ISym2E= 2.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="8">FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="6">NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="10">wScrn= 0.000000 ICntrl= 0 IOpCl= 1 I1Cent= 0 NGrid= 0</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">NMat0= 144 NMatS0= 144 NMatT0= 0 NMatD0= 144 NMtDS0= 0 NMtDT0= 0</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="6">Integrals replicated using symmetry in FoFCou.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="14">There are 144 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">141 vectors produced by pass 0 Test12= 1.23D-13 1.00D-09 XBig12= 3.27D+03 3.85D+01.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="10">AX will form 141 AO Fock derivatives at one time.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">141 vectors produced by pass 1 Test12= 1.23D-13 1.00D-09 XBig12= 2.17D+03 1.38D+01.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">141 vectors produced by pass 2 Test12= 1.23D-13 1.00D-09 XBig12= 1.22D+02 1.37D+00.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">141 vectors produced by pass 3 Test12= 1.23D-13 1.00D-09 XBig12= 1.67D+00 1.61D-01.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">141 vectors produced by pass 4 Test12= 1.23D-13 1.00D-09 XBig12= 1.13D-02 1.02D-02.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">141 vectors produced by pass 5 Test12= 1.23D-13 1.00D-09 XBig12= 5.44D-05 6.38D-04.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">106 vectors produced by pass 6 Test12= 1.23D-13 1.00D-09 XBig12= 2.20D-07 2.66D-05.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">37 vectors produced by pass 7 Test12= 1.23D-13 1.00D-09 XBig12= 8.70D-10 1.63D-06.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">3 vectors produced by pass 8 Test12= 1.23D-13 1.00D-09 XBig12= 4.50D-12 1.19D-07.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">3 vectors produced by pass 9 Test12= 1.23D-13 1.00D-09 XBig12= 4.49D-14 7.37D-09.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">3 vectors produced by pass 10 Test12= 1.23D-13 1.00D-09 XBig12= 3.61D-14 7.98D-09.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">3 vectors produced by pass 11 Test12= 1.23D-13 1.00D-09 XBig12= 1.54D-13 2.12D-08.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">2 vectors produced by pass 12 Test12= 1.23D-13 1.00D-09 XBig12= 2.31D-14 6.25D-09.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="6">InvSVY: IOpt=1 It= 1 EMax= 4.26D-14</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="9">Solved reduced A of dimension 1003 with 144 vectors.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="6">FullF1: Do perturbations 1 to 3.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="7">Isotropic polarizability for W= 0.000000 579.67 Bohr**3.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="10">End of Minotr F.D. properties file 721 does not exist.</array>
                  </list>
               </module>
               <module cmlx:templateRef="l601.polariz">
                  <array dataType="xsd:double" dictRef="g:l601.pol.exact" size="6">815.508 -5.078 577.439 20.371 -5.257 346.067</array>
                  <array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">886.359 -5.435 644.944 23.751 -0.957 402.924</array>
               </module>
               <module cmlx:templateRef="l601.fermi">
                  <list cmlx:templateRef="fermi.atom">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="47">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</array>
                     <array dataType="xsd:string" dictRef="x:elementType" size="47">Fe N N N N C C C C C H C H C C O C H H H C H H H C C O C H H H C H H H C C C O O F F O Cl Cl O H</array>
                     <array dataType="xsd:integer" dictRef="x:isotopeNumber" size="47">57 14 14 14 14 13 13 13 13 13 1 13 1 13 13 17 13 1 1 1 13 1 1 1 13 13 17 13 1 1 1 13 1 1 1 13 13 13 17 17 19 19 17 35 35 17 1</array>
                     <array dataType="xsd:double" dictRef="cc:coupling" size="47">0.00001 -0.00018 -0.00242 0.00321 -0.00090 -0.00265 0.00023 0.00262 0.00123 -0.00161 -0.00016 0.00083 0.00001 -0.00172 0.00103 0.00420 0.00200 -0.00004 0.00013 -0.00003 -0.00066 -0.00024 -0.00002 -0.00001 0.00168 -0.00128 0.00255 0.00012 -0.00005 -0.00001 -0.00004 -0.00082 0.00003 -0.00026 0.00001 0.00057 0.00211 -0.00074 0.00525 0.00457 -0.00009 -0.00008 0.03374 -0.00016 0.00025 -0.00158 0.00175</array>
                     <array dataType="xsd:double" dictRef="cc:coupling" size="47">0.00065 -0.02830 -0.39103 0.51937 -0.14492 -1.48695 0.12986 1.47147 0.69098 -0.90707 -0.36675 0.46561 0.03282 -0.96838 0.57927 -1.27357 1.12455 -0.08602 0.27947 -0.06140 -0.37026 -0.52908 -0.05530 -0.01261 0.94386 -0.71878 -0.77258 0.06957 -0.10712 -0.02892 -0.09544 -0.45841 0.07760 -0.57561 0.01421 0.31908 1.18544 -0.41739 -1.59004 -1.38412 -0.18359 -0.16667 -10.22657 -0.03486 0.05500 0.48022 3.90484</array>
                     <array dataType="xsd:double" dictRef="cc:coupling" size="47">0.00023 -0.01010 -0.13953 0.18532 -0.05171 -0.53058 0.04634 0.52506 0.24656 -0.32366 -0.13087 0.16614 0.01171 -0.34554 0.20670 -0.45444 0.40127 -0.03070 0.09972 -0.02191 -0.13212 -0.18879 -0.01973 -0.00450 0.33679 -0.25648 -0.27568 0.02483 -0.03822 -0.01032 -0.03405 -0.16357 0.02769 -0.20539 0.00507 0.11386 0.42300 -0.14893 -0.56737 -0.49389 -0.06551 -0.05947 -3.64909 -0.01244 0.01962 0.17136 1.39334</array>
                     <array dataType="xsd:double" dictRef="cc:coupling" size="47">0.00022 -0.00944 -0.13043 0.17324 -0.04834 -0.49599 0.04332 0.49083 0.23049 -0.30257 -0.12234 0.15531 0.01095 -0.32302 0.19322 -0.42482 0.37511 -0.02869 0.09322 -0.02048 -0.12351 -0.17648 -0.01845 -0.00421 0.31484 -0.23976 -0.25770 0.02321 -0.03573 -0.00965 -0.03183 -0.15291 0.02588 -0.19200 0.00474 0.10643 0.39542 -0.13923 -0.53038 -0.46169 -0.06124 -0.05560 -3.41122 -0.01163 0.01835 0.16018 1.30251</array>
                  </list>
                  <list cmlx:templateRef="fermi.spindipole">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="47">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</array>
                     <array dataType="xsd:double" dictRef="g:spindipole.xx" size="47">-1.484031 -0.045563 -0.018702 -0.008309 -0.002541 0.028701 0.023755 0.001936 0.007467 0.008859 0.003098 0.002871 0.003404 -0.007835 -0.011791 -0.036994 -0.004820 -0.001248 -0.002476 -0.004862 -0.003072 -0.002457 -0.001591 -0.004485 -0.010841 -0.007520 -0.021368 -0.004171 -0.002630 -0.001383 -0.004687 -0.002659 -0.001667 -0.002488 -0.004396 0.007999 0.011425 0.018482 -0.061237 -0.034578 0.008106 0.009857 0.235901 0.008102 0.001995 0.031420 -0.010271</array>
                     <array dataType="xsd:double" dictRef="g:spindipole.yy" size="47">-1.011373 -0.027858 0.013487 0.029502 0.011855 -0.001686 -0.007583 -0.008113 -0.003214 0.002879 0.000054 -0.003233 -0.000298 0.017553 0.011133 -0.075983 0.009635 0.004717 0.005403 0.007359 0.005369 0.003460 0.002718 0.001565 0.009454 0.017453 -0.055214 0.007304 0.005432 0.004768 0.008067 0.004838 0.002535 0.003302 0.001293 -0.007716 -0.008894 -0.008988 -0.025263 -0.018411 -0.004847 -0.007773 0.095105 0.004602 -0.000866 0.052780 -0.004988</array>
                     <array dataType="xsd:double" dictRef="g:spindipole.zz" size="47">2.495404 0.073421 0.005215 -0.021193 -0.009313 -0.027015 -0.016172 0.006177 -0.004253 -0.011737 -0.003151 0.000363 -0.003106 -0.009718 0.000658 0.112978 -0.004815 -0.003469 -0.002928 -0.002497 -0.002296 -0.001002 -0.001128 0.002920 0.001387 -0.009933 0.076582 -0.003133 -0.002802 -0.003385 -0.003380 -0.002179 -0.000868 -0.000814 0.003103 -0.000284 -0.002532 -0.009494 0.086500 0.052989 -0.003260 -0.002084 -0.331006 -0.012704 -0.001130 -0.084200 0.015259</array>
                  </list>
                  <list cmlx:templateRef="fermi.spindipole">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="47">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</array>
                     <array dataType="xsd:double" dictRef="g:spindipole.xy" size="47">0.069072 -0.021601 0.041678 -0.058770 0.039705 -0.010373 0.009936 -0.004114 0.004515 -0.000619 -0.003751 0.000870 0.003783 0.007799 -0.013971 -0.020730 0.004232 0.003392 0.000457 0.002142 0.001910 0.000561 0.002739 0.001540 0.014684 -0.007870 0.022883 -0.003019 -0.000560 -0.003497 -0.002554 -0.001765 -0.002685 -0.000545 -0.001317 0.012230 -0.009283 0.000043 -0.005916 0.017088 0.000044 -0.001815 0.361402 -0.002154 0.000690 0.027999 -0.002035</array>
                     <array dataType="xsd:double" dictRef="g:spindipole.xz" size="47">0.272399 -0.098950 0.044991 0.047918 -0.073955 -0.001621 0.004948 0.010062 0.007318 -0.000263 0.000500 -0.000498 0.000503 -0.001540 0.000549 -0.032259 0.001189 0.000274 0.000196 0.001020 -0.000745 -0.000283 -0.001563 -0.001762 0.000308 -0.001870 -0.023435 0.000914 0.000075 0.000191 0.001022 -0.000838 -0.001602 -0.000184 -0.001557 -0.012108 -0.016658 0.000751 -0.047966 -0.062383 0.000187 0.005054 0.277980 0.003628 0.000249 0.147819 -0.002789</array>
                     <array dataType="xsd:double" dictRef="g:spindipole.yz" size="47">0.110174 0.115114 0.078667 -0.070908 -0.082130 0.001876 -0.006059 -0.004665 0.003579 0.000836 -0.000382 0.000590 0.000406 -0.003935 -0.015513 -0.049313 0.003751 0.001195 0.000651 0.005828 -0.004874 -0.003429 -0.003577 -0.007760 0.011552 0.006112 0.034266 -0.003104 -0.000483 -0.001018 -0.005841 0.004324 0.003599 0.003417 0.007481 0.003095 -0.002351 -0.000044 0.053081 -0.045091 0.000118 -0.001692 -0.159979 -0.000290 -0.000068 -0.131746 -0.015880</array>
                  </list>
               </module>
               <module cmlx:templateRef="l601.anisospin">
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.9903 -0.123 -0.064 0.1206 0.9919 -0.0406 0.0684 0.0325 0.9971</matrix>
                     <vector3 dictRef="g:coupling.au">-1.5102 -1.0075 2.5177</vector3>
                     <vector3 dictRef="g:coupling.mhz">-26.146 -17.442 43.588</vector3>
                     <vector3 dictRef="g:coupling.g">-9.33 -6.224 15.553</vector3>
                     <vector3 dictRef="g:coupling.ten">-8.721 -5.818 14.54</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">1</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">Fe</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">57</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.5682 -0.5636 0.5996 0.7289 0.6829 -0.0489 -0.3819 0.4648 0.7988</matrix>
                     <vector3 dictRef="g:coupling.au">-0.1286 -0.0592 0.1877</vector3>
                     <vector3 dictRef="g:coupling.mhz">-4.958 -2.282 7.24</vector3>
                     <vector3 dictRef="g:coupling.g">-1.769 -0.814 2.583</vector3>
                     <vector3 dictRef="g:coupling.ten">-1.654 -0.761 2.415</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">2</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">N</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">14</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.1415 -0.6406 0.7547 0.8992 -0.402 -0.1726 0.414 0.6543 0.6329</matrix>
                     <vector3 dictRef="g:coupling.au">-0.07 -0.046 0.116</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.699 -1.773 4.472</vector3>
                     <vector3 dictRef="g:coupling.g">-0.963 -0.633 1.596</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.9 -0.591 1.492</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">3</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">N</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">14</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.1982 0.4808 0.8541 0.8434 0.5276 -0.1013 -0.4994 0.7003 -0.5101</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0722 -0.0508 0.1231</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.786 -1.96 4.746</vector3>
                     <vector3 dictRef="g:coupling.g">-0.994 -0.7 1.694</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.929 -0.654 1.583</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">4</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">N</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">14</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.4358 0.4381 0.7863 0.7375 -0.6746 -0.0329 -0.516 -0.5942 0.617</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0961 -0.0356 0.1316</vector3>
                     <vector3 dictRef="g:coupling.mhz">-3.705 -1.371 5.076</vector3>
                     <vector3 dictRef="g:coupling.g">-1.322 -0.489 1.811</vector3>
                     <vector3 dictRef="g:coupling.ten">-1.236 -0.457 1.693</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">5</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">N</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">14</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.0166 -0.0667 0.9976 0.2978 0.9528 0.0588 0.9545 -0.2961 -0.0356</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0272 -0.0048 0.032</vector3>
                     <vector3 dictRef="g:coupling.mhz">-3.646 -0.646 4.291</vector3>
                     <vector3 dictRef="g:coupling.g">-1.301 -0.23 1.531</vector3>
                     <vector3 dictRef="g:coupling.ten">-1.216 -0.215 1.431</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">6</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.2061 0.5195 0.8292 -0.1812 0.8125 -0.554 0.9616 0.2645 0.0733</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0212 -0.0057 0.0269</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.844 -0.761 3.605</vector3>
                     <vector3 dictRef="g:coupling.g">-1.015 -0.271 1.286</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.949 -0.254 1.203</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">7</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.2117 0.9659 0.1493 0.7618 -0.0674 -0.6443 0.6122 -0.2501 0.7501</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0097 -0.0062 0.0159</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.306 -0.833 2.14</vector3>
                     <vector3 dictRef="g:coupling.g">-0.466 -0.297 0.763</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.436 -0.278 0.714</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">8</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.3113 -0.3493 0.8838 -0.4406 0.877 0.1915 0.842 0.3298 0.4269</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0082 -0.0047 0.0129</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.106 -0.631 1.737</vector3>
                     <vector3 dictRef="g:coupling.g">-0.395 -0.225 0.62</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.369 -0.21 0.579</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">9</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.011 -0.0564 0.9983 0.1049 0.993 0.055 0.9944 -0.1042 -0.0169</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0118 0.0029 0.0089</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.582 0.384 1.198</vector3>
                     <vector3 dictRef="g:coupling.g">-0.564 0.137 0.427</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.528 0.128 0.4</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">10</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0301 0.0824 0.9961 0.5611 0.8261 -0.0514 0.8272 -0.5574 0.0711</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0032 -0.0025 0.0057</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.706 -1.318 3.024</vector3>
                     <vector3 dictRef="g:coupling.g">-0.609 -0.47 1.079</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.569 -0.44 1.009</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">11</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.1471 0.9745 -0.1693 0.1304 0.1887 0.9733 0.9805 0.1211 -0.1548</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0035 4.0E-4 0.0031</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.465 0.055 0.41</vector3>
                     <vector3 dictRef="g:coupling.g">-0.166 0.02 0.146</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.155 0.018 0.137</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">12</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.0209 -0.1673 0.9857 -0.533 0.8322 0.1525 0.8458 0.5286 0.0718</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0032 -0.0026 0.0058</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.688 -1.412 3.1</vector3>
                     <vector3 dictRef="g:coupling.g">-0.602 -0.504 1.106</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.563 -0.471 1.034</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">13</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.5952 -0.0528 0.8019 0.7565 -0.2999 -0.5812 0.2712 0.9525 -0.1386</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0106 -0.0097 0.0203</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.423 -1.308 2.73</vector3>
                     <vector3 dictRef="g:coupling.g">-0.508 -0.467 0.974</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.475 -0.436 0.911</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">14</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.7816 0.5144 0.3529 -0.5435 0.2838 0.79 -0.3062 0.8092 -0.5014</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0207 -0.0053 0.026</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.783 -0.71 3.493</vector3>
                     <vector3 dictRef="g:coupling.g">-0.993 -0.253 1.246</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.928 -0.237 1.165</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">15</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.4159 0.8704 0.2635 0.8952 -0.4428 0.0498 -0.16 -0.2152 0.9634</matrix>
                     <vector3 dictRef="g:coupling.au">-0.1008 -0.0285 0.1294</vector3>
                     <vector3 dictRef="g:coupling.mhz">7.295 2.065 -9.36</vector3>
                     <vector3 dictRef="g:coupling.g">2.603 0.737 -3.34</vector3>
                     <vector3 dictRef="g:coupling.ten">2.433 0.689 -3.122</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">16</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">O</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">17</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.8799 -0.128 -0.4575 0.3997 -0.3211 0.8586 0.2568 0.9384 0.2314</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0061 -0.0057 0.0117</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.812 -0.76 1.572</vector3>
                     <vector3 dictRef="g:coupling.g">-0.29 -0.271 0.561</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.271 -0.254 0.525</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">17</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.1885 -0.2126 0.9588 0.8941 -0.3666 -0.2571 0.4062 0.9058 0.1209</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0037 -0.0027 0.0064</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.963 -1.45 3.413</vector3>
                     <vector3 dictRef="g:coupling.g">-0.701 -0.517 1.218</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.655 -0.484 1.139</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">18</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.2909 -0.058 0.955 0.9549 -0.0792 0.286 0.059 0.9952 0.0784</matrix>
                     <vector3 dictRef="g:coupling.au">-0.003 -0.0025 0.0055</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.615 -1.31 2.925</vector3>
                     <vector3 dictRef="g:coupling.g">-0.576 -0.467 1.044</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.539 -0.437 0.976</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">19</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.8598 0.0867 -0.5033 0.4871 -0.435 0.7573 0.1533 0.8963 0.4162</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0052 -0.0052 0.0104</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.798 -2.768 5.566</vector3>
                     <vector3 dictRef="g:coupling.g">-0.998 -0.988 1.986</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.933 -0.923 1.856</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">20</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.1279 0.4522 0.8827 0.9754 -0.104 0.1946 0.1798 0.8858 -0.4278</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0047 -0.0034 0.0081</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.629 -0.46 1.088</vector3>
                     <vector3 dictRef="g:coupling.g">-0.224 -0.164 0.388</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.21 -0.153 0.363</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">21</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0536 0.4797 0.8758 0.9954 -0.0446 0.0853 0.08 0.8763 -0.4751</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0029 -0.0025 0.0054</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.528 -1.337 2.865</vector3>
                     <vector3 dictRef="g:coupling.g">-0.545 -0.477 1.022</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.51 -0.446 0.956</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">22</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.136 0.5528 0.8221 0.9159 -0.2461 0.317 0.3776 0.7961 -0.4729</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0033 -0.0029 0.0061</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.747 -1.53 3.277</vector3>
                     <vector3 dictRef="g:coupling.g">-0.623 -0.546 1.169</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.583 -0.51 1.093</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">23</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.0771 0.7272 0.6821 0.9849 -0.1621 0.0615 -0.1552 -0.6671 0.7287</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0056 -0.0048 0.0104</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.962 -2.587 5.549</vector3>
                     <vector3 dictRef="g:coupling.g">-1.057 -0.923 1.98</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.988 -0.863 1.851</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">24</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.8168 -0.5122 0.2655 -0.448 -0.273 0.8514 0.3636 0.8143 0.4524</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0199 -0.0025 0.0224</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.677 -0.333 3.01</vector3>
                     <vector3 dictRef="g:coupling.g">-0.955 -0.119 1.074</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.893 -0.111 1.004</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">25</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.1206 -0.175 0.9772 0.9546 0.2906 -0.0658 -0.2724 0.9407 0.2021</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0113 -0.0098 0.021</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.511 -1.313 2.824</vector3>
                     <vector3 dictRef="g:coupling.g">-0.539 -0.469 1.008</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.504 -0.438 0.942</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">26</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.4535 0.853 -0.2583 0.876 0.48 0.0471 -0.1641 0.2049 0.9649</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0778 -0.0101 0.0878</vector3>
                     <vector3 dictRef="g:coupling.mhz">5.626 0.73 -6.356</vector3>
                     <vector3 dictRef="g:coupling.g">2.008 0.261 -2.268</vector3>
                     <vector3 dictRef="g:coupling.ten">1.877 0.244 -2.12</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">27</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">O</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">17</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.9689 0.2032 -0.141 0.0795 0.2841 0.9555 -0.2342 0.937 -0.2591</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0049 -0.004 0.0089</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.662 -0.534 1.197</vector3>
                     <vector3 dictRef="g:coupling.g">-0.236 -0.191 0.427</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.221 -0.178 0.399</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">28</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.2376 0.0405 0.9705 0.9689 0.0811 0.2339 -0.0692 0.9959 -0.0585</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0028 -0.0027 0.0055</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.516 -1.419 2.934</vector3>
                     <vector3 dictRef="g:coupling.g">-0.541 -0.506 1.047</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.506 -0.473 0.979</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">29</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.2954 0.2364 0.9257 0.8641 0.3471 -0.3644 -0.4075 0.9075 -0.1018</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0036 -0.0029 0.0065</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.912 -1.53 3.443</vector3>
                     <vector3 dictRef="g:coupling.g">-0.682 -0.546 1.228</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.638 -0.51 1.148</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">30</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.0686 0.3971 0.9152 0.9826 0.1319 -0.1309 -0.1727 0.9083 -0.3811</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0058 -0.0052 0.011</vector3>
                     <vector3 dictRef="g:coupling.mhz">-3.115 -2.756 5.871</vector3>
                     <vector3 dictRef="g:coupling.g">-1.111 -0.983 2.095</vector3>
                     <vector3 dictRef="g:coupling.ten">-1.039 -0.919 1.958</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">31</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0019 -0.4304 0.9027 0.9812 0.1733 0.0847 -0.1929 0.8859 0.4219</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0042 -0.003 0.0073</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.569 -0.408 0.977</vector3>
                     <vector3 dictRef="g:coupling.g">-0.203 -0.146 0.349</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.19 -0.136 0.326</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">32</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.2803 -0.603 0.7469 0.8839 0.1414 0.4458 -0.3744 0.7852 0.4933</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0032 -0.0029 0.0061</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.693 -1.55 3.242</vector3>
                     <vector3 dictRef="g:coupling.g">-0.604 -0.553 1.157</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.565 -0.517 1.081</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">33</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.3809 -0.478 0.7915 0.9218 -0.1291 0.3656 -0.0726 0.8688 0.4898</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0028 -0.0025 0.0053</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.488 -1.326 2.814</vector3>
                     <vector3 dictRef="g:coupling.g">-0.531 -0.473 1.004</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.496 -0.442 0.939</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">34</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0698 0.7402 -0.6687 0.9877 0.1454 0.0578 -0.14 0.6565 0.7413</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0053 -0.0047 0.01</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.85 -2.498 5.347</vector3>
                     <vector3 dictRef="g:coupling.g">-1.017 -0.891 1.908</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.951 -0.833 1.784</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">35</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">H</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">1</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.5312 0.7093 -0.4635 0.1764 0.6276 0.7583 0.8287 0.321 -0.4585</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0189 -5.0E-4 0.0194</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.536 -0.072 2.608</vector3>
                     <vector3 dictRef="g:coupling.g">-0.905 -0.026 0.931</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.846 -0.024 0.87</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">36</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.5149 0.6081 0.6043 -0.1893 0.7681 -0.6117 0.8361 -0.2006 -0.5106</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0191 -0.0047 0.0238</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.562 -0.635 3.197</vector3>
                     <vector3 dictRef="g:coupling.g">-0.914 -0.227 1.141</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.855 -0.212 1.066</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">37</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0268 0.0846 0.9961 8.0E-4 0.9964 -0.0846 0.9996 0.0015 0.0268</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0095 -0.009 0.0185</vector3>
                     <vector3 dictRef="g:coupling.mhz">-1.277 -1.206 2.483</vector3>
                     <vector3 dictRef="g:coupling.g">-0.456 -0.43 0.886</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.426 -0.402 0.828</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">38</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">C</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">13</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.9065 -0.2451 0.3438 0.3394 0.9073 -0.2481 -0.2511 0.3416 0.9057</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0778 -0.042 0.1198</vector3>
                     <vector3 dictRef="g:coupling.mhz">5.632 3.038 -8.67</vector3>
                     <vector3 dictRef="g:coupling.g">2.009 1.084 -3.094</vector3>
                     <vector3 dictRef="g:coupling.ten">1.878 1.014 -2.892</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">39</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">O</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">17</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.8514 0.1608 0.4992 -0.3156 0.9173 0.2429 -0.4189 -0.3644 0.8317</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0679 -0.0362 0.1042</vector3>
                     <vector3 dictRef="g:coupling.mhz">4.915 2.622 -7.537</vector3>
                     <vector3 dictRef="g:coupling.g">1.754 0.935 -2.689</vector3>
                     <vector3 dictRef="g:coupling.ten">1.64 0.874 -2.514</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">40</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">O</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">17</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.0023 0.9973 -0.0737 -0.0167 0.0736 0.9971 0.9999 0.0035 0.0165</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0049 -0.0033 0.0081</vector3>
                     <vector3 dictRef="g:coupling.mhz">-2.439 -1.634 4.073</vector3>
                     <vector3 dictRef="g:coupling.g">-0.87 -0.583 1.453</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.813 -0.545 1.359</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">41</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">F</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">19</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">0.0298 0.9699 0.2417 -0.3657 -0.2145 0.9057 0.9303 -0.1154 0.3483</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0083 -0.0037 0.012</vector3>
                     <vector3 dictRef="g:coupling.mhz">-4.143 -1.871 6.014</vector3>
                     <vector3 dictRef="g:coupling.g">-1.478 -0.667 2.146</vector3>
                     <vector3 dictRef="g:coupling.ten">-1.382 -0.624 2.006</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">42</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">F</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">19</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.4552 0.4282 0.7807 -0.3925 0.6905 -0.6076 0.7992 0.583 0.1462</matrix>
                     <vector3 dictRef="g:coupling.au">-0.5808 0.0304 0.5504</vector3>
                     <vector3 dictRef="g:coupling.mhz">42.028 -2.201 -39.827</vector3>
                     <vector3 dictRef="g:coupling.g">14.996 -0.785 -14.211</vector3>
                     <vector3 dictRef="g:coupling.ten">14.019 -0.734 -13.285</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">43</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">O</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">17</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.1674 -0.0042 0.9859 0.3891 0.9185 0.07 0.9059 -0.3953 0.1522</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0133 0.0037 0.0097</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.697 0.192 0.505</vector3>
                     <vector3 dictRef="g:coupling.g">-0.249 0.068 0.18</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.233 0.064 0.168</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">44</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">Cl</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">35</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.1729 0.4992 0.8491 -0.1522 0.8381 -0.5238 0.9731 0.2198 0.069</matrix>
                     <vector3 dictRef="g:coupling.au">-0.0012 -9.0E-4 0.0022</vector3>
                     <vector3 dictRef="g:coupling.mhz">-0.064 -0.05 0.114</vector3>
                     <vector3 dictRef="g:coupling.g">-0.023 -0.018 0.041</vector3>
                     <vector3 dictRef="g:coupling.ten">-0.021 -0.017 0.038</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">45</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">Cl</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">35</scalar>
                  </module>
                  <module cmlx:templateRef="atom">
                     <matrix cmlx:templateRef="baa"
                             cols="3"
                             dataType="xsd:double"
                             dictRef="g:axis"
                             rows="3">-0.4705 0.3996 0.7867 0.6924 0.7199 0.0484 0.547 -0.5675 0.6154</matrix>
                     <vector3 dictRef="g:coupling.au">-0.2395 0.0709 0.1687</vector3>
                     <vector3 dictRef="g:coupling.mhz">17.332 -5.127 -12.205</vector3>
                     <vector3 dictRef="g:coupling.g">6.185 -1.83 -4.355</vector3>
                     <vector3 dictRef="g:coupling.ten">5.781 -1.71 -4.071</vector3>
                     <scalar dataType="xsd:integer" dictRef="x:serial">46</scalar>
                     <scalar dataType="xsd:string" dictRef="x:elementType">O</scalar>
                     <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">17</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l716">
                  <list cmlx:templateRef="l716">
                     <scalar dataType="xsd:string" dictRef="g:l716">(Enter /ichec/packages/gaussian/09e01/l716.exe)</scalar>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT89308.700S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2019-01-25T05:15:06.000Z</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="132">-101.39083 -101.39064 -24.64109 -24.63907 -19.15391 -19.15133 -19.07157 -19.06992 -19.06492 -19.06374 -14.30803 -14.30443 -14.28856 -14.28827 -10.30026 -10.23822 -10.23724 -10.23666 -10.23623 -10.20578 -10.20519 -10.18728 -10.18682 -10.18023 -10.17956 -10.15015 -10.14973 -10.11277 -10.11232 -10.11226 -10.11177 -9.39398 -9.39378 -7.14383 -7.14365 -7.13323 -7.13301 -7.13264 -7.13245 -3.54861 -2.36752 -2.32660 -2.31546 -1.23695 -1.17884 -1.10375 -1.03043 -1.02778 -1.01990 -1.01871 -0.93859 -0.90086 -0.89953 -0.89068 -0.87835 -0.84851 -0.84369 -0.81086 -0.77989 -0.76457 -0.73520 -0.72242 -0.70854 -0.67078 -0.67073 -0.64902 -0.64440 -0.60975 -0.60500 -0.56652 -0.56577 -0.54051 -0.53393 -0.52501 -0.52239 -0.50650 -0.50161 -0.49434 -0.47335 -0.46994 -0.45887 -0.45433 -0.45314 -0.44980 -0.44576 -0.43930 -0.43529 -0.43250 -0.43060 -0.42488 -0.41877 -0.41834 -0.41517 -0.41058 -0.40479 -0.40080 -0.39913 -0.39634 -0.39390 -0.38734 -0.38259 -0.38002 -0.37270 -0.37045 -0.36786 -0.36516 -0.35466 -0.35332 -0.35079 -0.34691 -0.34489 -0.34141 -0.34118 -0.33007 -0.32828 -0.32369 -0.31425 -0.30863 -0.30264 -0.29933 -0.29538 -0.28329 -0.27608 -0.27096 -0.26549 -0.25987 -0.24905 -0.24449 -0.24252 -0.23825 -0.23291 -0.20914</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="470">-0.15784 -0.09137 -0.05188 -0.04720 -0.04000 -0.01835 -0.00042 0.00431 0.01231 0.01506 0.01625 0.02066 0.02340 0.02990 0.03343 0.04344 0.06009 0.07115 0.07595 0.08359 0.08741 0.09113 0.09516 0.10323 0.10478 0.11495 0.11996 0.12349 0.12466 0.12929 0.13130 0.13720 0.13982 0.14267 0.14382 0.14676 0.14737 0.15361 0.15682 0.16594 0.16799 0.17274 0.17350 0.17703 0.17840 0.18223 0.18531 0.18751 0.19270 0.19719 0.19765 0.19850 0.20108 0.20305 0.20641 0.21311 0.21485 0.21984 0.22189 0.22454 0.23213 0.23265 0.23812 0.24084 0.24102 0.24941 0.25143 0.25443 0.25717 0.26263 0.26593 0.27217 0.27365 0.27836 0.28238 0.28861 0.29117 0.29760 0.30219 0.30769 0.31071 0.31669 0.31743 0.32265 0.33254 0.33663 0.33954 0.34261 0.34797 0.35376 0.35554 0.36051 0.36774 0.37769 0.37920 0.38300 0.38618 0.39803 0.40415 0.40630 0.41843 0.42078 0.43293 0.43407 0.44613 0.45608 0.45884 0.46711 0.47606 0.48414 0.49319 0.49547 0.50213 0.50679 0.51972 0.52569 0.53015 0.53948 0.54866 0.55456 0.56613 0.56929 0.57149 0.57729 0.59401 0.59968 0.60279 0.60851 0.61288 0.61753 0.62167 0.63201 0.63789 0.64694 0.65258 0.65636 0.66385 0.67071 0.67424 0.68041 0.69125 0.70023 0.70329 0.70794 0.71252 0.71994 0.73787 0.74807 0.75422 0.75634 0.76375 0.76897 0.77702 0.78553 0.79056 0.79670 0.80343 0.80648 0.81575 0.82529 0.82897 0.83381 0.83742 0.84130 0.84311 0.84845 0.85200 0.85791 0.86127 0.86647 0.87681 0.88578 0.89189 0.89596 0.90036 0.90565 0.90967 0.92157 0.92476 0.93129 0.93380 0.93685 0.93843 0.94798 0.95032 0.96370 0.97101 0.98158 0.98281 0.99045 1.00024 1.00420 1.01908 1.03050 1.03734 1.04030 1.04517 1.04917 1.06441 1.07077 1.07295 1.07580 1.08368 1.09217 1.10204 1.10265 1.11599 1.12500 1.13937 1.14782 1.15473 1.16726 1.17827 1.18068 1.19060 1.19529 1.20057 1.20740 1.21037 1.21450 1.22118 1.22716 1.22829 1.23240 1.24436 1.24660 1.25141 1.25698 1.26431 1.27381 1.27839 1.28739 1.29521 1.30246 1.30575 1.32247 1.32754 1.33151 1.34010 1.34395 1.34939 1.35274 1.36983 1.38837 1.41447 1.41817 1.42736 1.43133 1.44678 1.45042 1.46208 1.47159 1.47613 1.48121 1.48343 1.49130 1.49891 1.50519 1.50848 1.51567 1.52028 1.53732 1.54149 1.55086 1.55674 1.56350 1.57807 1.58150 1.58453 1.59932 1.60439 1.61087 1.62209 1.63920 1.65251 1.66145 1.67398 1.68070 1.68645 1.68952 1.70024 1.70493 1.71750 1.73247 1.73459 1.74693 1.75869 1.76567 1.76624 1.77389 1.77867 1.78792 1.79324 1.79557 1.80361 1.81334 1.81877 1.82535 1.84066 1.84281 1.85534 1.86320 1.86720 1.87142 1.88267 1.88406 1.88733 1.89056 1.90008 1.90634 1.90767 1.91460 1.92553 1.92853 1.93646 1.94168 1.94565 1.95515 1.96436 1.96598 1.97410 1.98338 1.98864 1.99380 2.01044 2.01848 2.02260 2.02713 2.02973 2.05115 2.06116 2.06760 2.07788 2.08315 2.09024 2.09361 2.09753 2.09975 2.10093 2.10413 2.11301 2.12498 2.12644 2.13488 2.14728 2.15101 2.15595 2.15995 2.16091 2.16323 2.16678 2.17195 2.18212 2.19347 2.19836 2.20322 2.21996 2.22578 2.23240 2.24486 2.25912 2.25992 2.26185 2.26994 2.28594 2.29379 2.29584 2.30635 2.31974 2.33492 2.34390 2.36065 2.36158 2.36402 2.40183 2.41631 2.42505 2.43774 2.44696 2.47120 2.48053 2.48988 2.50265 2.52778 2.54554 2.54800 2.56219 2.57092 2.58168 2.58952 2.59569 2.59729 2.61328 2.62304 2.63257 2.63842 2.64592 2.67404 2.67644 2.68375 2.70248 2.70580 2.71238 2.71867 2.72761 2.73934 2.75147 2.77299 2.79265 2.79510 2.80371 2.80520 2.80971 2.82297 2.83085 2.85475 2.85844 2.86969 2.87643 2.88903 2.90778 2.91392 2.91958 2.92304 2.94811 2.94945 2.95733 2.96189 3.00111 3.00482 3.03365 3.04822 3.05431 3.06629 3.09545 3.10712 3.15017 3.16294 3.17479 3.19618 3.21626 3.22260 3.24296 3.26074 3.29099 3.31546 3.32122 3.32404 3.34576 3.41663 3.42510 3.49157 3.49687 3.50506 3.52314 3.52566 3.53754 3.53982 3.54353 3.57987 3.58387 3.68335 5.83513 5.84274 5.85189 5.87197 5.89004 5.92675 5.93091 45.42319</array>
                     <array dataType="xsd:double" dictRef="g:betaocc" size="130">-101.39083 -101.39065 -24.64111 -24.63905 -19.15480 -19.15235 -19.07107 -19.06966 -19.06434 -19.06307 -14.30769 -14.30452 -14.28827 -14.28807 -10.30028 -10.23814 -10.23706 -10.23655 -10.23608 -10.20577 -10.20531 -10.18751 -10.18688 -10.18031 -10.17963 -10.14996 -10.14969 -10.11275 -10.11229 -10.11227 -10.11181 -9.39398 -9.39379 -7.14383 -7.14365 -7.13323 -7.13304 -7.13264 -7.13245 -3.44969 -2.23911 -2.23292 -2.22764 -1.23695 -1.17883 -1.10534 -1.02969 -1.02729 -1.01898 -1.01768 -0.93813 -0.90006 -0.89898 -0.89025 -0.87731 -0.85116 -0.84369 -0.81066 -0.77963 -0.76416 -0.73504 -0.72229 -0.70835 -0.67075 -0.67071 -0.64869 -0.64425 -0.60959 -0.60462 -0.56632 -0.56564 -0.54031 -0.53382 -0.52391 -0.52058 -0.50465 -0.50082 -0.49371 -0.47216 -0.46623 -0.45730 -0.45346 -0.44920 -0.44728 -0.44287 -0.43884 -0.43527 -0.43223 -0.42956 -0.42251 -0.41932 -0.41737 -0.41224 -0.40999 -0.40418 -0.39847 -0.39682 -0.39198 -0.38944 -0.38493 -0.37921 -0.37576 -0.36785 -0.36729 -0.36612 -0.36028 -0.35295 -0.34403 -0.34173 -0.34128 -0.34032 -0.32967 -0.32922 -0.32737 -0.31859 -0.30647 -0.30477 -0.30010 -0.29467 -0.29056 -0.27723 -0.27167 -0.26529 -0.25969 -0.25423 -0.24616 -0.24311 -0.23981 -0.23492 -0.21614</array>
                     <array dataType="xsd:double" dictRef="g:betavirt" size="472">-0.13734 -0.12653 -0.11217 -0.05257 -0.04556 -0.03732 -0.03378 -0.01833 0.00277 0.00776 0.01402 0.01705 0.02018 0.02139 0.02363 0.03013 0.03398 0.04367 0.06024 0.07125 0.07653 0.08373 0.08777 0.09124 0.09530 0.10338 0.10494 0.11534 0.12055 0.12378 0.12524 0.12951 0.13160 0.13812 0.14001 0.14291 0.14451 0.14733 0.14765 0.15414 0.15730 0.16614 0.16823 0.17306 0.17369 0.17743 0.17925 0.18319 0.18563 0.18778 0.19320 0.19763 0.19841 0.20113 0.20144 0.20326 0.20744 0.21359 0.21535 0.22061 0.22225 0.22501 0.23285 0.23310 0.23898 0.24123 0.24171 0.25007 0.25195 0.25562 0.25739 0.26367 0.26629 0.27243 0.27398 0.28039 0.28303 0.28963 0.29201 0.29823 0.30313 0.30847 0.31153 0.31730 0.31872 0.32322 0.33332 0.33820 0.34178 0.34301 0.35052 0.35531 0.35707 0.36088 0.36815 0.37854 0.37975 0.38377 0.38794 0.39952 0.40605 0.40699 0.41923 0.42198 0.43495 0.43565 0.44654 0.45769 0.45993 0.46785 0.47651 0.48450 0.49397 0.49627 0.50264 0.50759 0.52041 0.52623 0.53101 0.54060 0.54948 0.55556 0.56692 0.57000 0.57197 0.57823 0.59401 0.60023 0.60351 0.60889 0.61360 0.61823 0.62179 0.63381 0.63817 0.64704 0.65325 0.65642 0.66712 0.67181 0.67469 0.68188 0.69526 0.70203 0.70381 0.70816 0.71415 0.72142 0.74190 0.74970 0.75539 0.75720 0.76573 0.77027 0.77893 0.78694 0.79156 0.79743 0.80512 0.80821 0.81866 0.82584 0.82973 0.83521 0.83846 0.84246 0.84357 0.85045 0.85315 0.85862 0.86150 0.86779 0.87794 0.88848 0.89254 0.89805 0.90146 0.91029 0.91121 0.92239 0.92591 0.93253 0.93470 0.93876 0.94036 0.94836 0.95136 0.96484 0.97476 0.98202 0.98417 0.99133 1.00245 1.00492 1.02075 1.03203 1.03802 1.04092 1.04587 1.05000 1.06512 1.07178 1.07583 1.07741 1.08448 1.09304 1.10296 1.10589 1.11700 1.12600 1.13982 1.14852 1.15573 1.16862 1.17927 1.18157 1.19147 1.19603 1.20207 1.20812 1.21107 1.21497 1.22155 1.22791 1.22892 1.23350 1.24475 1.24698 1.25310 1.25753 1.26475 1.27650 1.27917 1.28802 1.29604 1.30285 1.30613 1.32320 1.32806 1.33241 1.34069 1.34426 1.34991 1.35316 1.37014 1.38913 1.41637 1.41889 1.42773 1.43229 1.44803 1.45202 1.46239 1.47274 1.47722 1.48167 1.48360 1.49177 1.49907 1.50599 1.50879 1.51598 1.52111 1.53779 1.54172 1.55127 1.55722 1.56376 1.57820 1.58204 1.58470 1.60013 1.60504 1.61177 1.62298 1.63962 1.65291 1.66219 1.67465 1.68125 1.68706 1.68983 1.70098 1.70508 1.71806 1.73304 1.73518 1.74735 1.75925 1.76637 1.76695 1.77427 1.77897 1.78820 1.79361 1.79597 1.80410 1.81385 1.81927 1.82644 1.84095 1.84300 1.85580 1.86369 1.86759 1.87198 1.88292 1.88458 1.88784 1.89063 1.90094 1.90687 1.90822 1.91512 1.92588 1.92897 1.93693 1.94215 1.94635 1.95551 1.96472 1.96660 1.97453 1.98383 1.98935 1.99431 2.01142 2.01889 2.02312 2.02737 2.02995 2.05144 2.06192 2.06782 2.07820 2.08353 2.09094 2.09415 2.09763 2.10011 2.10131 2.10429 2.11366 2.12506 2.12716 2.13544 2.14771 2.15172 2.15647 2.16061 2.16117 2.16335 2.16735 2.17216 2.18239 2.19408 2.19876 2.20384 2.22033 2.22612 2.23292 2.24531 2.25946 2.26080 2.26249 2.27081 2.28651 2.29409 2.29627 2.30704 2.32009 2.33603 2.34346 2.36122 2.36208 2.36443 2.40280 2.41644 2.42593 2.43933 2.44710 2.47155 2.48031 2.49052 2.50299 2.52869 2.54645 2.54882 2.56312 2.57164 2.58262 2.59023 2.59646 2.59785 2.61356 2.62335 2.63312 2.63872 2.64631 2.67465 2.67585 2.68437 2.70289 2.70650 2.71325 2.71921 2.72782 2.73985 2.75154 2.77322 2.79316 2.79539 2.80384 2.80565 2.81007 2.82310 2.83162 2.85528 2.85872 2.87022 2.87681 2.88943 2.90817 2.91406 2.91974 2.92336 2.94818 2.94952 2.95776 2.96251 3.00171 3.00537 3.03417 3.04861 3.05479 3.06678 3.09600 3.10755 3.15066 3.16292 3.17540 3.19652 3.21661 3.22305 3.24325 3.26097 3.29140 3.31555 3.32120 3.32400 3.34579 3.41697 3.42523 3.49159 3.49686 3.50535 3.52319 3.52571 3.53749 3.53982 3.54338 3.57991 3.58396 3.68359 5.95061 5.95486 5.96537 5.97935 5.99070 6.00062 6.01880 45.52552</array>
                     <module cmlx:templateRef="l601.state">
                        <scalar dataType="xsd:string" dictRef="g:l601.state">3-A.</scalar>
                     </module>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l716.dipole">
                     <array cmlx:templateRef="dipole"
                            dataType="xsd:double"
                            dictRef="x:d"
                            size="3">-3.61411062e+00 -9.21016758e-01 3.32784563e-01</array>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l716.polarizability">
                     <array cmlx:templateRef="polariz"
                            dataType="xsd:double"
                            dictRef="cc:polarizability"
                            size="6">8.15507766e+02 -5.07832874e+00 5.77439285e+02 2.03709364e+01 -5.25731503e+00 3.46066921e+02</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">-6.3425 0.0011 0.0016 0.0017 7.3477 14.2273 30.1442 33.9599 39.0850</array>
                     </module>
                     <module cmlx:templateRef="l716.freq.chunkx" dictRef="cc:vibrations">
                        <array dataType="xsd:integer" dictRef="x:serial" size="135">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</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="cc:irrep"
                               size="135">A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A</array>
                        <array dataType="xsd:double" dictRef="cc:frequency" size="135">28.8636 33.1389 39.0666 44.8957 52.1109 66.0694 74.6201 76.1993 100.3025 102.7478 118.9625 130.0693 152.3887 163.4946 167.6244 176.4481 194.7572 198.7026 202.2424 223.1849 227.1920 229.9088 234.9867 236.3799 239.5370 248.4776 251.5089 255.6508 265.3442 269.2195 284.4171 297.1911 308.4229 322.0956 328.9922 342.0722 348.0620 369.6776 373.5812 390.7141 398.2136 411.8004 412.8990 439.3363 442.1741 465.9361 467.8489 489.6949 492.9613 507.6458 517.9077 528.4674 548.1629 575.9114 622.5106 638.7142 660.1623 685.9044 700.8074 716.5000 724.6904 750.3983 755.1693 777.8825 812.8424 830.5904 863.2499 867.1568 881.3986 895.5947 901.4252 912.3558 943.7184 945.1179 946.2315 979.1183 986.3897 1004.1020 1005.8996 1015.8238 1016.2167 1028.3964 1102.6590 1115.2494 1130.5823 1155.4887 1167.1481 1167.9262 1185.6170 1196.6233 1203.6049 1230.5631 1258.5111 1276.0461 1346.3465 1352.8433 1362.3265 1379.5638 1385.2610 1387.6245 1387.7666 1404.2261 1405.0013 1414.7119 1426.3726 1466.9029 1484.7076 1484.8060 1493.8272 1493.9764 1496.5333 1497.1255 1507.3043 1507.3800 1578.5147 1588.2897 1601.5214 1605.9739 1627.2273 1631.2150 3059.2411 3061.0705 3062.0113 3063.4228 3137.8692 3138.9787 3139.1989 3141.8397 3160.5591 3161.1456 3170.9756 3172.4197 3267.2230 3268.2305 3662.2724</array>
                        <array dataType="xsd:double" dictRef="cc:redmass" size="135">6.7946 8.0254 5.4593 9.1604 9.5403 11.5348 5.3020 7.5244 11.1849 9.1421 6.2441 6.0706 5.7998 4.7856 5.1585 3.8846 4.6110 1.5759 2.2450 7.6847 3.4991 4.8155 1.5745 3.8424 1.3948 5.1138 2.6946 3.4316 2.9532 2.7237 3.7753 7.1826 6.9265 5.9311 6.3724 5.9280 7.7147 11.1957 13.4452 4.3003 1.4225 6.9837 4.5993 6.9621 5.9428 5.7743 5.3718 5.0815 5.5487 10.4219 5.3552 13.5843 11.8036 6.9375 8.3416 5.2779 5.8093 5.1824 9.7512 7.8810 5.1621 7.0133 6.6968 10.8024 5.3329 3.5298 1.6928 3.3225 1.4427 5.0609 5.6976 4.8367 2.9730 1.5371 2.0424 6.4774 7.8505 3.8744 2.9027 1.3396 1.3310 6.0970 8.6197 1.7341 4.9597 5.1831 3.6919 3.7668 4.8597 2.6325 3.0937 1.3749 3.2550 4.5618 7.3981 9.8690 5.4637 6.6164 1.1230 1.2140 1.2141 1.6290 1.3740 4.3026 8.8712 3.3437 1.0489 1.0484 1.0502 1.0497 1.0675 1.0669 1.0620 1.0634 10.4584 7.9669 11.4656 12.2039 10.7134 11.1092 1.0350 1.0349 1.0359 1.0354 1.1030 1.1026 1.1030 1.1032 1.1026 1.1022 1.1016 1.1015 1.0927 1.0929 1.0681</array>
                        <array dataType="xsd:double" dictRef="cc:forceconst" size="135">0.0033 0.0052 0.0049 0.0109 0.0153 0.0297 0.0174 0.0257 0.0663 0.0569 0.0521 0.0605 0.0794 0.0754 0.0854 0.0713 0.1030 0.0367 0.0541 0.2255 0.1064 0.1500 0.0512 0.1265 0.0472 0.1860 0.1004 0.1321 0.1225 0.1163 0.1799 0.3738 0.3882 0.3625 0.4064 0.4087 0.5507 0.9015 1.1056 0.3868 0.1329 0.6978 0.4620 0.7917 0.6846 0.7386 0.6928 0.7179 0.7944 1.5824 0.8463 2.2352 2.0897 1.3557 1.9046 1.2686 1.4917 1.4365 2.8217 2.3838 1.5973 2.3268 2.2501 3.8512 2.0760 1.4348 0.7432 1.4720 0.6604 2.3917 2.7277 2.3721 1.5600 0.8090 1.0774 3.6587 4.5004 2.3015 1.7305 0.8145 0.8099 3.7991 6.1748 1.2707 3.7352 4.0773 2.9632 3.0273 4.0248 2.2209 2.6406 1.2267 3.0375 4.3764 7.9011 10.6419 5.9745 7.4192 1.2696 1.3773 1.3777 1.8925 1.5981 5.0737 10.6340 4.2391 1.3623 1.3617 1.3808 1.3804 1.4086 1.4090 1.4217 1.4236 15.3537 11.8413 17.3266 18.5449 16.7138 17.4162 5.7071 5.7131 5.7226 5.7249 6.3987 6.4010 6.4045 6.4163 6.4892 6.4895 6.5261 6.5318 6.8721 6.8779 8.4407</array>
                        <array dataType="xsd:double" dictRef="cc:irintensity" size="135">0.6272 0.7055 0.5049 1.6067 14.2368 1.3798 1.2595 12.0667 0.5160 2.4067 4.4659 6.7902 1.5893 5.5866 0.7900 4.9456 12.9362 3.7052 8.2226 10.1126 11.0976 12.5690 2.5094 0.6642 0.7879 4.3581 1.6805 0.4410 2.3350 2.1269 1.5686 19.1347 24.9337 17.9085 30.0802 2.2916 5.3270 277.2898 5.3871 13.0624 153.0454 11.1245 26.0117 138.3912 190.0083 11.9472 8.7521 4.7918 2.0357 164.3347 4.8620 54.3563 88.2691 3.6313 0.2645 10.6633 3.0130 25.5634 27.0859 1.1824 0.7790 25.3953 7.8034 57.2818 83.1197 61.4822 23.8733 37.9998 49.1073 223.3222 435.9781 21.5199 149.9298 10.7741 92.1853 51.3208 314.8341 105.8562 69.0816 4.7078 3.3449 91.0870 8.1749 78.8365 204.3384 456.9996 20.7589 7.9704 281.1931 84.6319 132.7452 61.7182 0.0720 79.2674 625.1334 363.1880 205.8680 438.1955 41.6324 8.8393 6.2501 3.9905 72.5217 993.1393 363.9767 72.0057 5.7750 3.4198 19.9125 9.7625 83.0048 56.6295 4.2091 3.2445 293.2631 617.1416 1167.4793 3434.4315 1195.0903 545.9015 43.1485 45.1197 23.5333 18.6522 19.4823 52.2957 28.7140 39.3458 16.6184 15.3820 12.6497 11.5971 21.8570 3.9379 197.0311</array>
                        <array dataType="xsd:integer" dictRef="cc:atomicNumber" size="47">26 7 7 7 7 6 6 6 6 6 1 6 1 6 6 8 6 1 1 1 6 1 1 1 6 6 8 6 1 1 1 6 1 1 1 6 6 6 8 8 9 9 8 17 17 8 1</array>
                        <array dataType="xsd:double" dictRef="cc:displacement" size="19035">-0.00 0.00 -0.03 -0.01 0.01 0.02 -0.01 0.00 -0.02 -0.00 -0.01 0.02 -0.01 0.01 -0.02 -0.01 0.01 0.00 -0.01 0.01 -0.02 -0.01 0.00 -0.00 -0.01 0.01 -0.06 -0.01 0.00 -0.04 -0.01 0.00 0.02 -0.01 0.01 -0.07 -0.01 0.01 -0.09 -0.01 0.02 0.08 -0.01 0.02 0.11 -0.02 0.04 0.22 0.02 -0.06 0.14 0.03 -0.07 0.13 0.03 -0.04 0.22 0.04 -0.12 0.12 -0.06 0.12 0.11 -0.08 0.13 0.19 -0.07 0.14 0.09 -0.08 0.17 0.06 -0.01 -0.02 0.10 -0.01 -0.03 0.11 -0.01 -0.04 0.19 -0.01 0.05 0.19 0.00 0.03 0.25 -0.01 0.07 0.22 -0.04 0.12 0.16 -0.02 -0.14 0.15 -0.02 -0.17 0.17 -0.04 -0.14 0.22 -0.00 -0.19 0.10 -0.01 0.01 -0.07 -0.00 -0.01 -0.02 0.02 0.01 -0.10 -0.02 0.01 -0.08 -0.01 -0.03 0.00 0.01 0.01 -0.18 0.11 0.03 -0.08 0.05 -0.04 -0.02 -0.01 0.00 -0.04 -0.02 0.00 -0.13 0.12 -0.02 -0.06 0.16 -0.05 -0.05 -0.01 0.01 -0.07 -0.01 0.02 -0.02 -0.01 0.01 -0.04 0.01 -0.01 0.04 -0.00 0.02 -0.11 -0.01 0.02 -0.02 -0.00 0.02 -0.09 -0.00 0.01 0.08 -0.00 0.01 -0.12 0.00 0.01 0.08 -0.00 0.01 0.16 0.00 0.01 -0.03 -0.00 0.01 -0.19 -0.00 0.01 -0.05 -0.01 0.02 -0.03 -0.00 0.02 -0.04 0.02 0.03 -0.08 0.01 0.03 -0.10 0.01 0.02 -0.09 0.03 0.05 -0.07 -0.01 -0.03 -0.07 0.00 -0.02 -0.08 -0.01 -0.05 -0.09 -0.04 -0.04 -0.05 0.00 0.02 -0.11 0.01 -0.01 0.04 0.01 0.04 -0.20 -0.13 0.05 0.15 -0.10 0.04 0.13 -0.12 0.05 0.29 -0.26 0.10 0.10 0.15 -0.10 0.11 0.15 -0.15 0.24 0.13 -0.08 0.09 0.26 -0.13 0.04 -0.01 0.00 -0.01 0.01 -0.02 0.12 -0.01 0.02 0.04 -0.00 -0.00 -0.02 0.02 -0.05 0.24 -0.01 0.02 0.05 -0.01 0.08 0.05 0.01 -0.08 -0.06 0.01 -0.00 0.26 0.00 0.00 -0.07 0.02 -0.12 -0.11 0.02 -0.12 -0.13 -0.01 -0.00 -0.06 -0.00 -0.01 -0.09 -0.00 -0.00 -0.03 -0.00 -0.01 -0.02 -0.01 -0.00 -0.06 -0.00 -0.00 -0.09 -0.00 -0.00 -0.05 -0.00 -0.00 -0.09 -0.00 -0.00 0.03 0.00 0.00 -0.03 -0.00 -0.00 -0.14 0.00 -0.00 0.05 0.00 -0.00 0.08 0.00 0.02 0.04 -0.00 -0.00 -0.08 0.00 -0.01 -0.15 -0.11 -0.10 0.19 -0.10 -0.10 0.33 -0.08 -0.08 0.24 -0.20 -0.21 0.13 0.11 0.18 0.13 0.08 0.17 0.17 0.10 0.24 0.26 0.21 0.25 0.03 -0.00 -0.01 -0.04 -0.00 -0.01 0.01 -0.00 -0.00 -0.06 -0.04 0.03 0.06 -0.03 0.02 0.07 -0.04 0.03 0.12 -0.09 0.06 0.04 0.04 -0.07 0.04 0.04 -0.09 0.09 0.03 -0.07 0.05 0.08 -0.10 0.00 0.00 0.01 0.04 -0.00 -0.01 0.01 0.00 -0.00 -0.01 0.01 0.04 0.14 -0.00 -0.02 0.04 -0.00 -0.00 -0.04 0.04 -0.02 -0.00 -0.02 -0.00 -0.07 0.00 0.00 -0.03 0.01 0.00 0.19 -0.00 0.01 -0.07 0.01 -0.00 -0.07 -0.00 0.00 -0.03 -0.00 0.00 -0.02 -0.00 0.00 -0.03 0.00 -0.01 0.05 -0.00 -0.00 -0.03 0.00 -0.00 -0.01 -0.00 -0.00 -0.03 0.01 0.01 0.05 -0.01 0.01 -0.07 0.01 0.01 0.05 0.02 0.01 0.10 -0.01 0.02 -0.05 -0.02 0.01 -0.13 -0.00 0.00 -0.04 -0.00 -0.02 -0.14 -0.00 -0.04 -0.29 -0.10 -0.03 0.03 -0.10 -0.02 0.13 -0.10 -0.03 0.02 -0.18 -0.07 -0.00 0.10 0.06 0.01 0.09 0.05 -0.01 0.10 0.09 0.11 0.18 0.08 -0.03 0.01 -0.04 0.16 0.01 -0.01 0.05 0.02 -0.10 0.39 0.14 -0.06 -0.06 0.12 -0.05 -0.05 0.13 -0.06 -0.20 0.25 -0.12 -0.01 -0.12 0.08 -0.02 -0.11 0.15 -0.14 -0.08 0.06 -0.00 -0.24 0.11 0.05 0.00 0.02 0.05 0.00 0.02 -0.02 -0.01 0.01 0.02 0.01 0.04 0.14 0.01 0.05 -0.11 -0.00 0.02 0.04 -0.02 -0.02 0.02 0.03 -0.04 -0.03 0.02 0.02 0.18 -0.02 0.03 -0.14 -0.02 -0.11 -0.07 -0.08 -0.06 -0.07 0.01 -0.01 0.09 0.00 -0.03 0.04 0.00 -0.02 0.04 -0.02 0.01 -0.09 0.00 -0.02 0.08 0.00 -0.02 0.06 -0.00 -0.02 0.05 0.01 -0.02 0.09 -0.00 -0.02 -0.02 0.00 -0.02 0.05 0.01 -0.02 0.13 -0.00 -0.02 -0.03 -0.01 -0.02 -0.05 -0.00 -0.02 0.01 0.00 -0.04 -0.07 -0.00 -0.07 -0.22 -0.09 -0.04 0.06 -0.08 -0.03 0.14 -0.07 -0.03 0.03 -0.16 -0.05 0.03 0.07 0.01 0.05 0.04 -0.02 0.02 0.07 0.06 0.12 0.16 0.01 0.02 -0.01 0.01 -0.06 -0.01 -0.00 -0.03 -0.02 0.04 -0.18 -0.06 0.09 0.08 -0.04 0.07 0.13 -0.05 0.10 0.15 -0.11 0.17 0.03 0.02 -0.12 0.03 0.01 -0.18 0.09 -0.01 -0.11 0.08 0.08 -0.17 -0.04 0.00 -0.01 0.02 -0.01 -0.01 -0.09 0.02 -0.03 -0.07 -0.00 0.01 0.06 -0.03 -0.02 -0.09 0.01 -0.03 -0.14 0.10 -0.09 -0.06 -0.08 0.15 0.06 0.01 -0.02 0.10 -0.01 -0.02 -0.17 0.05 0.36 0.21 0.20 0.23 0.24 -0.01 -0.01 -0.08 0.02 -0.01 -0.19 0.02 0.00 0.02 0.02 -0.01 -0.09 0.02 -0.02 -0.12 0.02 -0.01 -0.15 0.02 -0.02 -0.14 0.02 -0.01 -0.09 0.02 -0.02 -0.11 0.03 -0.02 -0.01 0.02 -0.01 -0.08 0.03 -0.02 -0.04 0.02 -0.02 -0.12 0.03 0.01 0.04 0.03 0.02 0.07 0.03 0.07 0.30 0.09 0.00 0.01 0.09 -0.01 -0.03 0.09 0.01 0.04 0.13 0.01 0.03 -0.01 -0.00 0.02 0.01 0.02 0.04 -0.01 -0.04 -0.02 -0.07 0.00 0.03 0.03 -0.04 0.01 0.03 -0.03 -0.02 0.04 -0.08 0.14 0.07 0.05 0.04 0.08 0.03 0.11 0.07 0.06 0.03 0.09 0.10 0.02 0.00 -0.11 0.01 0.00 -0.11 0.00 0.01 -0.13 0.08 -0.03 -0.17 -0.03 0.02 -0.02 0.01 0.02 -0.00 -0.07 -0.02 -0.03 0.02 0.04 -0.04 -0.01 0.03 0.02 -0.11 0.01 -0.03 0.15 -0.15 -0.08 0.01 -0.21 0.18 -0.12 0.04 -0.02 0.15 0.03 -0.02 0.05 -0.29 0.30 0.07 -0.25 0.27 0.06 -0.01 0.00 0.00 -0.00 -0.01 -0.03 -0.00 -0.02 -0.06 0.01 -0.02 0.07 -0.00 -0.01 0.01 -0.00 -0.01 -0.02 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.02 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.11 0.11 0.01 -0.16 0.17 0.05 -0.07 0.17 -0.06 -0.19 0.07 0.01 0.12 0.06 -0.05 0.10 0.12 -0.01 0.20 0.11 0.08 0.17 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.02 -0.00 -0.01 0.01 0.01 -0.13 -0.15 -0.06 -0.08 -0.21 -0.01 -0.19 -0.24 0.09 -0.22 -0.09 -0.02 0.16 -0.09 -0.01 0.24 -0.15 0.04 0.14 -0.17 -0.10 0.22 0.00 -0.00 -0.04 -0.11 0.01 -0.05 0.12 0.00 -0.00 0.01 -0.00 -0.08 -0.21 0.01 -0.08 0.23 0.00 -0.02 0.01 0.01 0.12 0.01 -0.00 0.08 -0.01 -0.00 -0.01 0.04 -0.00 -0.01 -0.03 0.03 0.15 0.04 0.05 0.13 0.08 -0.03 -0.00 -0.04 -0.02 -0.00 -0.06 -0.00 -0.01 0.06 -0.01 -0.01 0.06 -0.02 -0.00 -0.06 -0.02 -0.00 -0.07 -0.02 -0.00 -0.07 -0.02 -0.00 -0.06 -0.02 -0.00 -0.06 -0.02 -0.00 -0.03 -0.02 -0.00 -0.06 -0.02 -0.00 -0.03 -0.02 -0.00 -0.06 -0.00 -0.02 0.00 -0.01 0.00 0.03 0.01 0.03 0.10 0.02 0.09 -0.11 0.00 0.14 -0.19 -0.04 0.04 -0.15 0.09 0.16 -0.06 -0.02 -0.16 -0.06 0.07 -0.12 -0.11 0.01 -0.27 -0.12 -0.12 -0.21 0.02 -0.01 -0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.03 0.06 0.01 -0.08 -0.09 -0.04 -0.05 -0.14 -0.01 -0.12 -0.15 0.06 -0.14 -0.06 -0.02 0.12 -0.05 -0.01 0.18 -0.10 0.02 0.10 -0.11 -0.08 0.16 0.01 -0.00 0.02 0.14 -0.01 -0.02 0.09 0.05 -0.01 0.02 -0.01 0.08 0.29 -0.02 -0.06 0.15 0.01 -0.01 -0.19 0.26 -0.04 0.04 -0.07 0.01 -0.05 -0.02 -0.01 0.02 -0.02 -0.00 0.03 0.12 0.15 -0.02 0.26 0.03 -0.00 -0.01 -0.07 0.04 0.01 -0.11 -0.03 -0.04 -0.02 0.05 0.06 -0.01 0.02 0.01 -0.11 0.02 0.02 -0.11 -0.03 -0.01 -0.11 -0.01 0.08 -0.04 -0.03 -0.06 -0.04 -0.01 0.04 0.04 -0.01 0.15 -0.04 -0.04 -0.03 0.04 -0.01 -0.14 -0.04 -0.00 -0.07 -0.04 0.02 -0.05 -0.09 0.01 -0.09 -0.12 0.03 -0.12 -0.01 0.01 -0.13 0.01 0.04 -0.14 -0.03 -0.02 -0.14 -0.00 0.01 -0.10 -0.04 0.01 -0.19 -0.11 -0.01 -0.13 0.05 0.01 -0.03 -0.09 0.03 0.07 -0.08 -0.02 0.10 -0.03 0.00 0.12 -0.11 -0.07 0.13 -0.03 -0.01 0.16 -0.05 -0.02 0.13 0.01 -0.01 0.11 -0.05 -0.00 0.15 -0.00 0.01 0.16 0.05 0.03 0.19 -0.03 -0.02 0.13 -0.00 0.01 -0.04 0.04 -0.02 0.06 0.04 0.01 0.04 0.07 -0.04 -0.10 0.07 -0.09 0.09 0.06 0.03 0.02 0.13 -0.13 0.13 0.08 -0.03 -0.13 -0.06 0.03 0.13 0.18 0.01 -0.11 0.18 0.02 -0.27 -0.09 0.09 -0.30 -0.06 0.04 0.00 -0.04 -0.05 -0.01 -0.07 -0.02 -0.03 -0.03 -0.07 0.01 -0.03 -0.01 -0.02 -0.07 0.01 -0.01 -0.07 -0.00 -0.02 -0.07 0.00 0.02 -0.03 -0.00 -0.05 -0.03 0.00 0.00 0.01 -0.00 0.06 -0.03 -0.01 -0.04 0.02 0.00 -0.10 -0.03 0.00 -0.05 -0.03 -0.02 -0.04 -0.06 0.01 -0.06 -0.06 0.08 -0.05 -0.05 -0.00 -0.06 -0.00 -0.04 -0.10 -0.07 0.05 0.01 -0.10 -0.01 -0.09 0.00 -0.02 -0.06 0.03 0.04 -0.08 -0.04 -0.05 -0.16 0.04 -0.03 0.01 -0.06 -0.02 0.02 -0.04 -0.02 0.03 -0.07 -0.05 0.04 -0.02 -0.01 0.08 -0.04 -0.01 0.05 0.02 0.01 0.01 -0.03 -0.01 0.05 -0.04 -0.01 0.05 -0.04 0.01 0.05 -0.04 -0.01 0.05 -0.05 -0.02 -0.03 0.01 0.02 0.01 0.02 -0.02 -0.05 0.02 0.06 -0.03 0.03 0.09 0.05 0.07 -0.08 -0.02 0.04 0.21 -0.19 0.01 0.04 0.13 -0.00 -0.04 0.05 0.09 -0.01 -0.09 0.10 0.00 0.44 0.20 -0.04 0.61 0.06 0.08 0.03 -0.00 -0.05 0.00 -0.02 -0.02 -0.00 -0.03 -0.18 0.00 -0.00 -0.09 -0.00 -0.03 0.11 0.01 -0.02 0.08 0.00 -0.02 0.13 0.01 -0.02 0.08 -0.00 -0.02 0.15 0.01 -0.01 0.07 0.01 -0.02 0.04 -0.00 -0.01 0.08 -0.00 -0.02 0.18 -0.01 -0.01 -0.07 -0.01 -0.02 -0.00 -0.02 -0.01 0.09 0.02 -0.08 -0.02 -0.00 0.01 -0.11 -0.08 -0.11 0.11 0.15 -0.18 -0.03 -0.06 0.06 -0.05 0.05 0.16 0.07 -0.02 -0.08 -0.10 -0.22 0.16 -0.10 -0.01 -0.01 0.01 -0.00 -0.01 -0.03 -0.01 0.01 -0.04 0.01 0.01 -0.02 -0.05 0.04 0.05 -0.00 -0.05 -0.08 0.10 0.06 -0.02 -0.03 -0.04 -0.02 -0.01 0.04 -0.06 0.04 -0.10 0.04 -0.12 -0.09 -0.04 0.00 0.02 0.01 0.01 -0.02 0.01 -0.01 -0.00 -0.03 0.01 0.08 0.22 0.01 -0.06 0.13 -0.01 0.00 -0.02 -0.02 0.01 -0.02 0.20 0.21 -0.04 0.01 0.00 -0.02 -0.02 0.00 -0.08 -0.16 -0.03 -0.06 -0.49 0.24 0.03 0.02 -0.00 -0.04 0.01 0.01 0.06 -0.00 0.05 0.07 -0.01 0.04 -0.26 0.02 0.00 -0.05 0.02 0.00 0.11 0.02 -0.00 0.05 0.03 0.00 0.15 0.02 0.00 0.06 0.03 0.01 0.09 0.03 0.00 0.17 0.02 0.01 0.07 0.02 0.00 0.03 -0.01 0.04 0.03 -0.01 0.01 0.01 -0.02 -0.01 -0.04 -0.05 0.08 -0.00 -0.04 0.07 0.03 -0.03 0.08 -0.07 -0.09 0.13 0.00 0.00 0.00 0.02 -0.05 -0.04 -0.04 -0.01 0.07 0.04 0.07 -0.04 0.04 0.01 -0.01 -0.02 0.00 0.01 -0.12 0.00 -0.04 0.11 0.06 0.11 -0.04 -0.04 0.13 0.13 0.04 0.01 -0.14 0.21 0.24 -0.06 -0.05 -0.11 -0.08 -0.01 0.07 -0.15 0.10 -0.24 0.09 -0.25 -0.25 -0.15 -0.01 0.02 0.01 -0.00 -0.01 -0.01 -0.03 0.00 -0.01 0.00 -0.00 -0.03 0.01 -0.09 0.25 -0.02 0.01 0.02 -0.06 -0.04 -0.02 -0.17 -0.15 -0.05 0.03 0.02 -0.06 0.02 0.01 -0.01 0.03 0.04 0.01 0.28 -0.17 -0.09 0.02 0.00 0.07 0.00 -0.02 -0.02 -0.01 0.03 0.09 -0.02 0.05 -0.16 0.00 -0.00 0.06 -0.01 -0.01 -0.13 -0.01 -0.01 -0.08 -0.01 -0.01 -0.21 -0.01 -0.01 -0.15 -0.01 -0.01 -0.15 -0.01 -0.01 -0.23 -0.01 -0.00 -0.13 -0.02 -0.01 -0.12 -0.02 0.01 0.05 -0.01 -0.01 0.01 -0.03 -0.03 -0.00 -0.06 0.07 0.00 -0.06 0.07 0.03 -0.05 0.06 -0.07 -0.09 0.13 0.02 -0.02 -0.04 0.03 -0.08 -0.09 -0.04 -0.03 0.03 0.04 0.06 -0.10 0.06 -0.00 0.01 0.01 -0.01 0.02 -0.05 -0.01 0.01 0.01 0.06 0.10 -0.00 -0.06 0.14 0.18 0.03 -0.01 -0.14 0.25 0.23 -0.01 -0.08 -0.05 -0.04 -0.04 0.16 -0.14 0.09 -0.20 0.14 -0.34 -0.19 -0.08 -0.01 0.01 0.02 -0.02 0.00 -0.02 -0.02 -0.01 -0.01 -0.01 -0.01 -0.04 -0.03 -0.05 0.13 -0.02 -0.01 -0.01 -0.03 -0.06 -0.01 0.24 0.11 0.10 0.01 0.00 0.07 -0.01 0.00 0.05 0.06 -0.09 0.01 -0.16 0.09 0.07 0.01 -0.01 0.04 0.03 0.02 0.08 -0.04 -0.00 -0.12 -0.02 -0.05 0.02 0.03 0.02 -0.07 0.04 0.02 0.01 0.04 0.02 -0.09 0.04 0.01 0.01 0.04 0.02 -0.15 0.05 0.01 -0.04 0.04 0.01 0.07 0.05 0.01 -0.09 0.05 0.02 -0.20 -0.02 0.02 -0.04 -0.01 0.02 0.01 -0.03 -0.01 -0.04 0.05 -0.02 -0.02 0.01 0.13 -0.20 -0.12 -0.08 0.16 0.28 -0.14 -0.01 -0.10 0.08 -0.03 0.10 0.26 0.16 -0.04 -0.19 -0.17 -0.42 0.23 -0.08 -0.01 -0.01 -0.01 -0.03 -0.05 0.00 -0.05 0.01 0.04 -0.06 -0.09 -0.02 -0.08 -0.07 -0.06 -0.07 -0.11 -0.01 -0.07 -0.12 -0.01 -0.03 -0.04 -0.00 -0.04 -0.08 0.01 -0.06 -0.02 -0.02 0.01 -0.02 0.00 -0.04 0.03 -0.03 -0.03 -0.02 -0.00 -0.06 0.01 -0.05 -0.03 0.07 0.12 -0.02 -0.02 0.03 -0.06 0.01 -0.04 -0.09 0.06 -0.05 -0.02 -0.08 0.08 0.07 0.04 -0.01 0.10 -0.04 0.05 -0.01 0.00 0.17 0.06 -0.05 0.13 0.01 0.01 -0.00 0.03 -0.02 -0.13 -0.01 0.07 0.07 -0.04 -0.06 0.06 0.02 -0.02 0.10 0.04 -0.01 -0.08 0.04 -0.01 0.09 0.05 -0.01 -0.13 0.06 -0.01 0.18 0.06 -0.01 -0.03 0.05 -0.01 -0.23 0.06 -0.01 0.07 0.07 -0.01 0.28 -0.02 0.06 0.01 -0.01 0.01 -0.03 -0.05 -0.00 0.09 -0.13 0.14 -0.03 -0.11 0.10 0.09 -0.07 0.14 -0.19 -0.27 0.24 -0.03 0.03 0.04 0.01 -0.15 -0.11 -0.12 -0.03 0.28 0.12 0.29 -0.06 0.03 -0.03 -0.02 0.03 -0.04 -0.05 0.04 -0.07 0.03 -0.05 -0.07 -0.12 -0.01 -0.10 -0.09 -0.07 -0.08 -0.14 -0.02 -0.07 -0.17 0.01 -0.06 -0.02 0.02 -0.07 -0.07 0.01 -0.11 0.02 -0.02 -0.02 0.02 0.04 -0.02 0.04 0.01 -0.04 -0.02 0.01 -0.05 0.00 -0.02 -0.01 0.02 0.01 -0.04 -0.01 -0.01 -0.06 -0.01 -0.03 -0.05 0.01 -0.02 -0.04 -0.04 -0.02 0.11 0.05 0.04 0.09 -0.06 -0.07 0.03 -0.01 -0.04 0.08 -0.05 -0.04 0.01 -0.00 -0.03 -0.00 0.01 0.07 -0.02 0.04 0.10 0.01 -0.04 0.04 0.01 0.01 -0.09 0.01 -0.00 0.08 0.01 -0.00 -0.06 0.02 -0.01 0.17 0.01 -0.00 -0.12 0.01 -0.00 0.07 0.03 -0.01 0.26 0.01 -0.00 -0.02 -0.00 -0.00 -0.21 -0.03 0.03 0.05 -0.03 0.00 0.03 -0.05 -0.02 -0.03 -0.09 0.10 0.00 -0.08 0.05 0.09 -0.04 0.10 -0.14 -0.21 0.20 0.01 -0.01 -0.03 0.03 -0.16 -0.16 -0.09 -0.06 0.16 0.09 0.19 -0.14 0.08 0.00 -0.01 -0.03 -0.00 -0.03 -0.00 -0.01 -0.02 0.06 -0.07 -0.08 -0.02 0.00 -0.10 -0.15 -0.05 -0.02 0.09 -0.21 -0.16 -0.02 0.05 -0.02 0.00 0.01 -0.23 0.11 -0.11 0.11 -0.11 0.29 0.07 0.01 -0.02 -0.00 0.02 0.00 -0.03 0.00 -0.02 -0.02 0.01 -0.02 -0.02 -0.04 0.01 -0.02 -0.01 -0.02 0.00 -0.01 -0.00 -0.05 0.01 0.14 0.17 -0.03 0.03 0.03 -0.06 0.03 -0.02 0.03 -0.03 0.03 -0.06 -0.21 0.18 0.00 -0.04 0.01 0.01 -0.02 0.00 0.02 -0.02 -0.03 0.04 -0.02 0.04 0.01 -0.02 -0.01 0.02 -0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.02 0.02 -0.01 0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.02 0.03 -0.02 -0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.03 0.04 -0.02 -0.01 0.01 -0.00 -0.01 -0.07 0.05 -0.06 0.05 0.02 0.04 -0.10 -0.06 -0.10 0.20 0.23 -0.15 0.06 -0.06 -0.05 0.02 0.19 0.15 0.16 0.01 -0.39 -0.13 -0.43 0.06 0.02 0.00 0.00 0.01 0.00 0.03 0.02 0.02 -0.01 -0.05 0.06 0.08 0.04 0.02 0.08 0.13 0.05 0.05 -0.03 0.14 0.14 0.03 -0.02 0.05 0.01 0.02 0.26 -0.08 0.14 -0.07 0.09 -0.23 -0.02 0.01 -0.02 -0.03 0.02 -0.02 0.02 0.01 0.00 -0.01 0.04 -0.03 -0.05 -0.06 -0.04 0.02 -0.03 -0.00 -0.01 0.01 0.05 -0.03 0.04 -0.05 0.07 -0.05 0.08 0.16 -0.01 0.06 -0.15 -0.00 0.01 0.01 -0.16 -0.02 0.03 -0.13 0.01 0.01 0.00 0.00 -0.00 -0.02 0.00 0.02 0.04 0.00 0.01 -0.03 0.01 -0.00 0.01 0.00 -0.01 -0.03 0.00 -0.01 0.03 0.00 -0.01 -0.07 0.00 -0.01 0.06 0.00 -0.01 -0.03 -0.00 -0.01 -0.11 0.00 -0.01 0.02 0.01 -0.01 0.10 -0.01 0.02 0.04 -0.01 0.00 0.01 -0.02 -0.01 -0.04 0.00 0.04 0.01 -0.03 0.19 -0.14 -0.15 -0.04 0.12 0.20 -0.03 0.04 -0.05 0.01 0.02 0.14 0.16 0.14 0.00 -0.23 -0.09 -0.32 0.11 0.01 0.01 0.00 -0.01 0.01 0.02 -0.04 0.01 -0.01 0.06 -0.03 0.02 -0.02 0.13 -0.05 -0.16 0.01 0.18 0.16 -0.27 -0.06 -0.04 0.05 0.01 -0.03 -0.01 -0.30 0.11 -0.19 0.20 -0.17 0.39 0.14 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.01 -0.02 -0.03 -0.01 -0.03 0.03 0.00 -0.01 0.00 -0.00 -0.04 -0.00 -0.00 0.01 0.00 0.00 -0.02 0.02 -0.02 0.02 -0.01 0.00 -0.01 -0.02 0.01 -0.01 -0.02 0.01 0.01 -0.01 0.01 0.01 0.01 0.01 0.04 0.06 0.01 -0.05 0.06 0.01 -0.01 0.01 0.01 -0.00 0.00 0.01 -0.00 -0.01 0.01 0.00 0.02 0.01 -0.01 -0.00 0.02 -0.00 0.01 0.02 0.00 0.03 0.02 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.04 0.05 -0.01 0.01 0.02 -0.02 -0.01 -0.06 -0.00 0.09 0.01 -0.05 0.28 -0.17 -0.19 -0.00 0.10 0.22 0.05 0.05 -0.04 0.03 0.04 0.13 0.17 0.15 0.01 -0.21 -0.06 -0.30 0.12 0.03 0.00 -0.01 0.01 0.00 -0.04 0.06 -0.01 0.02 -0.07 0.03 -0.09 0.00 -0.16 0.00 0.11 -0.02 -0.27 -0.20 0.28 -0.04 0.05 -0.04 -0.04 0.04 0.01 0.22 -0.06 0.16 -0.19 0.16 -0.31 -0.14 0.03 0.00 0.01 0.01 0.01 -0.02 0.00 -0.00 -0.01 -0.00 0.02 -0.02 -0.03 0.02 0.00 -0.03 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 -0.02 0.02 -0.03 -0.01 -0.07 -0.00 -0.02 0.07 0.00 -0.01 0.02 -0.05 -0.02 0.02 -0.03 0.03 -0.04 -0.10 -0.03 0.02 -0.01 0.00 0.01 0.07 0.10 -0.06 -0.02 -0.03 0.03 -0.05 -0.05 0.05 -0.04 -0.04 0.05 0.02 -0.08 0.04 -0.09 -0.05 0.07 0.12 -0.11 0.06 -0.01 -0.08 0.04 -0.15 -0.07 0.05 0.07 -0.05 0.07 0.18 -0.01 -0.00 0.06 -0.01 0.01 0.01 0.02 0.03 -0.05 -0.01 0.02 0.04 -0.01 0.03 0.03 -0.01 0.01 0.02 -0.00 0.04 0.04 -0.01 -0.06 0.03 0.11 0.03 0.06 0.02 -0.23 -0.04 -0.19 -0.03 0.06 -0.02 0.02 -0.02 0.00 -0.04 -0.02 -0.04 0.03 0.02 -0.06 -0.11 -0.06 -0.27 0.01 0.01 -0.11 -0.33 -0.21 0.16 -0.07 -0.02 -0.01 -0.12 0.01 -0.02 -0.18 0.04 -0.05 -0.11 0.06 0.03 -0.16 -0.05 0.00 0.01 0.02 0.11 -0.02 -0.01 0.05 0.02 0.02 -0.02 0.01 -0.07 0.17 0.04 -0.00 0.06 0.15 0.05 0.07 -0.05 0.02 0.15 -0.08 0.02 -0.11 0.12 0.02 0.01 -0.12 -0.03 -0.03 0.01 0.25 -0.05 0.03 0.25 0.01 0.03 -0.03 -0.02 -0.01 -0.01 0.03 0.03 -0.06 0.02 0.02 0.04 -0.01 0.01 -0.01 -0.02 -0.01 0.01 -0.02 -0.01 -0.01 -0.03 -0.02 0.03 -0.03 -0.01 -0.03 -0.03 -0.01 0.01 -0.03 -0.02 0.04 -0.04 -0.02 -0.01 -0.03 -0.01 -0.05 -0.02 0.04 -0.06 -0.03 -0.01 -0.02 -0.06 -0.02 0.04 -0.08 0.09 -0.08 -0.14 0.36 -0.26 -0.34 -0.06 0.03 0.19 0.01 -0.04 -0.04 0.16 -0.02 -0.21 0.05 0.00 -0.09 0.39 0.07 0.17 0.16 -0.08 0.02 0.01 0.01 0.02 0.03 0.04 0.05 -0.00 -0.02 0.03 0.05 0.05 0.08 0.02 0.04 0.04 0.09 0.09 -0.02 0.05 0.04 0.03 0.11 0.02 0.06 0.27 -0.04 0.15 0.03 0.00 -0.11 0.11 0.06 0.04 -0.01 -0.01 0.02 -0.03 -0.00 0.03 -0.05 0.00 0.09 -0.06 0.00 -0.02 -0.06 -0.01 0.04 -0.10 0.02 0.02 -0.11 -0.00 0.02 -0.06 0.02 -0.01 0.05 -0.01 -0.04 -0.04 0.01 -0.01 -0.00 0.11 0.03 -0.04 0.08 0.02 -0.04 -0.01 0.02 -0.05 0.00 0.09 0.03 0.06 -0.03 0.01 -0.05 -0.02 -0.01 -0.00 -0.00 -0.03 0.01 -0.03 -0.03 -0.01 -0.00 -0.04 0.03 -0.04 -0.03 -0.04 -0.01 -0.04 0.01 -0.02 -0.04 0.04 -0.04 -0.04 -0.02 -0.03 -0.03 -0.06 0.04 -0.01 0.05 0.03 -0.05 0.02 0.03 -0.06 -0.00 -0.01 0.07 0.00 -0.10 0.41 -0.25 -0.35 -0.11 0.17 0.35 -0.04 0.05 0.06 -0.03 0.05 0.01 -0.08 -0.02 0.04 0.04 0.09 0.15 -0.07 0.06 -0.05 -0.00 -0.02 -0.05 -0.00 -0.05 -0.07 0.01 0.02 -0.08 0.03 -0.01 -0.04 0.01 -0.04 -0.07 0.07 0.07 -0.18 0.04 -0.04 -0.12 -0.06 -0.04 -0.14 -0.13 -0.08 -0.18 -0.04 0.02 -0.11 -0.08 -0.06 0.09 0.05 -0.01 -0.02 0.04 0.02 0.04 0.06 0.02 0.11 0.05 0.00 -0.03 0.06 -0.04 0.05 -0.08 0.04 0.05 0.29 0.03 0.01 0.00 -0.02 0.02 0.02 -0.00 -0.06 -0.04 0.01 -0.02 0.01 0.00 -0.04 0.02 0.01 -0.01 -0.01 -0.03 0.00 0.01 -0.02 -0.00 0.01 0.03 -0.02 -0.00 0.01 -0.01 -0.02 -0.04 0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.01 -0.01 0.01 0.00 -0.01 0.03 0.01 -0.01 0.03 0.00 -0.01 0.01 0.01 -0.01 0.04 0.01 -0.01 0.04 0.01 0.01 0.02 0.01 0.02 -0.00 0.02 0.03 -0.01 0.01 0.03 0.01 0.04 -0.10 0.11 0.13 0.09 -0.10 -0.14 0.11 0.01 0.03 -0.02 0.02 0.20 0.10 0.06 0.08 -0.23 -0.03 -0.15 0.03 0.02 -0.00 -0.03 -0.01 -0.01 -0.00 0.00 0.02 -0.05 -0.00 -0.01 0.02 0.03 0.25 -0.10 -0.15 0.05 0.28 0.27 -0.34 -0.09 -0.01 0.01 0.05 -0.01 0.08 0.38 -0.11 0.28 -0.14 0.07 -0.30 -0.06 -0.00 -0.01 0.00 -0.00 -0.03 0.01 0.00 -0.02 0.00 -0.01 0.00 -0.00 -0.00 -0.03 0.01 -0.00 -0.03 -0.02 -0.03 -0.02 0.03 -0.01 0.06 -0.01 0.02 0.02 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.08 -0.03 0.02 0.09 -0.04 0.00 0.01 -0.01 0.04 0.02 -0.01 0.03 0.03 -0.04 -0.01 0.01 -0.01 -0.05 0.02 -0.01 -0.00 0.00 -0.02 -0.02 0.01 -0.03 -0.03 0.00 -0.03 -0.00 0.01 -0.04 -0.02 0.00 -0.04 -0.03 0.00 -0.05 -0.02 0.01 -0.03 -0.00 0.02 0.05 0.04 0.03 0.03 0.06 0.01 0.07 0.08 -0.04 0.14 0.10 -0.04 0.14 0.08 -0.17 0.14 0.09 -0.04 0.24 0.17 0.01 0.13 0.05 0.05 0.12 0.04 0.01 0.13 0.07 0.14 0.21 0.05 0.02 0.03 -0.06 0.00 0.04 -0.03 0.01 0.07 -0.08 -0.04 0.16 -0.06 -0.04 0.05 -0.01 0.06 0.13 -0.14 -0.27 0.39 -0.05 0.01 0.13 -0.05 0.03 0.10 -0.24 0.19 -0.01 0.05 -0.06 0.37 -0.00 0.01 -0.01 0.01 -0.01 -0.05 0.00 -0.01 -0.05 0.00 -0.05 0.01 0.01 0.04 -0.05 -0.01 0.02 -0.06 -0.04 -0.06 -0.09 0.05 -0.06 0.02 0.01 0.02 -0.02 0.05 0.00 -0.06 -0.05 0.00 0.01 -0.00 0.01 -0.03 0.03 0.06 -0.01 -0.01 0.01 0.00 0.01 0.01 -0.02 -0.02 0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.01 0.01 0.00 0.01 -0.02 0.00 0.01 0.02 0.00 0.01 -0.01 0.00 0.01 -0.03 0.01 0.01 0.01 0.00 0.01 0.03 0.01 -0.01 0.01 0.01 0.00 0.01 0.02 0.00 -0.02 0.08 -0.01 -0.01 0.02 0.22 -0.28 -0.17 -0.12 0.22 0.43 -0.14 0.03 0.02 -0.00 0.01 -0.21 -0.18 -0.10 -0.04 0.29 0.12 0.31 -0.11 0.03 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.02 0.01 -0.03 -0.01 -0.00 0.13 -0.08 -0.14 0.01 0.14 0.15 -0.24 -0.10 -0.02 0.00 -0.01 -0.01 0.04 0.16 -0.05 0.14 -0.10 0.05 -0.16 -0.07 -0.02 -0.03 -0.00 0.01 0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.06 0.01 -0.01 0.03 0.01 0.02 -0.01 0.06 -0.01 -0.01 -0.04 -0.00 -0.00 0.02 -0.00 -0.01 -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 -0.03 -0.01 0.01 -0.01 -0.05 -0.01 -0.03 -0.01 0.01 -0.08 -0.06 -0.02 -0.01 -0.08 0.03 -0.02 -0.00 -0.01 -0.10 0.02 0.01 -0.05 0.02 0.01 -0.04 0.04 0.02 0.03 0.04 -0.00 0.07 0.06 0.01 0.07 0.04 0.02 0.02 0.07 0.01 0.09 0.04 -0.00 0.08 -0.02 0.00 -0.03 -0.02 0.02 -0.04 -0.02 0.03 0.01 0.02 -0.03 -0.02 -0.02 0.11 -0.17 -0.13 -0.09 0.14 0.22 -0.13 -0.01 -0.02 0.05 -0.01 -0.11 -0.01 -0.01 -0.04 0.17 0.03 0.09 0.05 -0.04 -0.02 -0.03 -0.05 -0.01 0.01 -0.05 -0.01 -0.05 0.00 0.07 0.08 -0.02 -0.11 0.14 0.24 0.03 -0.09 -0.25 0.38 0.25 -0.01 0.01 -0.06 -0.02 -0.03 -0.24 0.06 -0.13 0.04 -0.04 0.18 -0.03 -0.06 -0.06 -0.04 0.05 -0.08 0.04 0.06 -0.04 -0.01 0.14 -0.06 -0.08 -0.05 -0.11 0.07 -0.06 -0.07 -0.04 -0.00 0.15 0.03 0.16 0.11 -0.01 0.05 0.04 -0.05 -0.02 0.06 0.05 -0.03 0.01 -0.02 0.12 -0.05 0.03 0.15 0.00 0.01 0.01 0.00 0.02 0.04 -0.01 0.02 -0.03 0.00 -0.01 -0.03 0.00 -0.01 0.04 0.01 -0.02 0.02 -0.00 -0.02 0.02 -0.00 -0.04 -0.01 -0.01 -0.03 -0.02 -0.00 -0.04 -0.03 -0.02 -0.04 -0.01 -0.02 -0.04 -0.03 0.01 -0.03 -0.03 0.01 0.04 -0.03 -0.00 0.02 0.00 -0.01 0.01 -0.03 0.12 0.04 -0.07 0.19 -0.26 0.04 0.41 0.19 -0.24 -0.10 0.22 -0.05 -0.05 0.16 -0.00 -0.08 0.16 0.12 -0.06 0.20 -0.01 -0.05 0.24 -0.08 -0.01 -0.01 0.00 -0.01 -0.03 -0.03 -0.03 0.01 -0.00 -0.01 -0.04 -0.04 0.17 -0.12 -0.20 0.04 0.13 0.09 -0.21 -0.16 -0.05 -0.07 -0.11 -0.01 -0.07 -0.11 -0.05 -0.07 -0.13 0.09 -0.11 -0.17 -0.06 -0.01 0.00 0.03 0.01 0.01 0.02 0.01 0.00 0.07 0.00 -0.02 -0.01 0.03 0.04 -0.01 0.00 0.04 0.02 0.10 -0.03 0.08 -0.03 0.01 -0.00 0.03 0.00 0.01 -0.06 -0.01 0.01 -0.00 0.00 -0.03 0.01 -0.01 -0.04 0.00 0.01 -0.02 0.00 0.00 -0.01 -0.01 0.00 0.02 0.01 0.02 0.02 -0.00 0.02 -0.04 0.01 -0.03 -0.01 -0.01 -0.03 -0.01 0.01 -0.07 0.01 0.00 -0.08 0.01 0.04 -0.10 0.02 -0.03 -0.07 0.01 -0.01 -0.10 0.02 0.05 -0.08 0.01 0.02 0.00 0.03 0.01 0.01 0.00 0.02 0.02 -0.03 0.11 -0.01 0.01 0.13 -0.08 -0.05 0.17 0.03 0.03 0.14 0.01 0.02 0.03 -0.02 0.02 0.00 -0.04 -0.02 0.02 0.02 0.04 0.08 -0.05 0.03 -0.01 0.03 -0.01 -0.03 0.04 0.01 -0.02 0.02 0.04 -0.16 0.04 0.06 -0.51 0.21 0.28 -0.24 -0.33 -0.08 0.12 0.26 0.05 -0.01 0.12 -0.01 -0.02 0.10 -0.01 -0.03 0.16 -0.11 0.02 0.20 0.06 -0.01 0.01 0.00 0.01 0.01 -0.02 -0.00 0.02 -0.02 -0.03 0.03 -0.01 0.01 0.00 0.01 0.00 0.09 -0.00 -0.04 -0.07 -0.03 0.03 -0.01 0.01 0.12 -0.02 -0.01 -0.10 -0.01 -0.00 -0.00 -0.00 0.04 -0.00 -0.00 0.03 -0.01 0.02 0.03 0.00 -0.00 -0.10 -0.02 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.03 0.00 -0.00 -0.01 -0.01 -0.01 -0.02 0.00 -0.02 0.09 -0.01 -0.01 -0.07 0.00 -0.02 0.06 -0.01 -0.02 0.13 -0.01 -0.02 -0.01 -0.00 -0.01 -0.10 0.02 -0.01 -0.07 0.02 0.01 -0.06 0.04 0.05 0.10 -0.10 -0.01 -0.03 -0.16 0.23 -0.08 -0.32 -0.12 0.06 0.04 -0.13 -0.04 0.20 0.01 -0.02 0.49 0.22 0.03 0.28 -0.31 0.05 0.00 0.15 -0.10 -0.00 0.00 0.02 -0.01 -0.01 0.01 -0.02 0.02 -0.02 0.02 -0.02 -0.01 0.11 -0.06 -0.10 0.04 0.08 0.04 -0.07 -0.10 -0.01 -0.07 -0.04 0.00 -0.09 -0.14 -0.02 -0.15 0.01 0.03 -0.02 -0.03 0.00 -0.02 -0.01 -0.00 0.01 0.00 0.00 -0.01 0.01 0.01 -0.03 -0.02 -0.05 0.04 0.01 0.03 -0.01 0.11 -0.00 0.01 -0.06 0.01 -0.00 -0.00 0.04 0.02 -0.00 -0.02 -0.03 -0.01 0.01 0.02 -0.03 -0.00 0.04 -0.04 -0.03 -0.01 0.01 0.07 0.00 -0.01 -0.02 0.01 -0.00 -0.03 -0.00 0.00 -0.02 0.01 0.01 -0.05 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.02 -0.00 0.01 0.04 -0.02 0.01 0.01 -0.01 0.00 -0.03 -0.01 0.00 0.04 -0.01 0.01 0.05 0.00 -0.00 -0.04 0.01 -0.01 -0.02 -0.00 -0.01 0.04 -0.04 0.01 -0.03 -0.04 0.03 -0.00 -0.05 -0.01 -0.06 -0.06 0.01 -0.04 0.03 0.05 -0.02 0.09 0.10 0.04 0.05 -0.02 -0.00 -0.02 0.11 -0.07 0.01 0.01 -0.05 0.01 0.00 -0.08 0.01 -0.03 0.11 -0.15 -0.04 -0.06 -0.37 0.09 -0.02 -0.20 -0.29 -0.09 -0.04 0.04 -0.06 0.18 -0.05 -0.02 0.26 0.27 0.06 0.48 -0.27 0.07 -0.02 -0.23 -0.12 0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.01 0.03 -0.01 0.00 0.01 0.03 -0.04 0.01 -0.03 0.00 0.02 0.02 0.01 -0.03 0.04 0.04 -0.02 0.01 0.00 -0.01 -0.01 -0.01 0.02 -0.02 -0.06 0.01 -0.01 -0.07 0.00 0.10 -0.01 -0.04 0.07 0.03 -0.01 0.01 -0.01 0.01 0.01 0.01 0.04 0.07 -0.04 -0.01 0.00 -0.00 0.01 0.00 -0.01 -0.02 -0.04 -0.03 0.02 -0.04 0.03 0.01 -0.07 -0.01 -0.07 -0.04 -0.03 -0.01 -0.07 0.02 0.07 -0.04 0.04 -0.03 -0.00 0.00 -0.04 0.06 0.00 0.01 0.10 -0.02 -0.06 -0.09 0.09 -0.08 0.01 0.10 -0.15 -0.12 0.26 0.01 -0.27 0.04 -0.06 -0.13 -0.05 -0.16 -0.24 -0.22 -0.09 -0.02 -0.09 0.04 -0.29 0.08 0.04 0.05 -0.00 0.02 0.00 0.00 -0.01 0.09 0.01 0.07 -0.08 -0.08 0.19 -0.12 -0.25 0.10 0.06 -0.07 -0.02 -0.26 -0.04 0.04 -0.12 0.04 0.06 -0.04 0.06 0.12 -0.20 0.19 -0.04 -0.26 -0.07 0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 -0.02 -0.00 0.01 -0.02 0.01 -0.01 -0.02 -0.01 0.00 -0.06 -0.00 0.00 0.02 0.00 0.00 -0.01 0.03 0.08 0.00 -0.00 -0.08 -0.00 -0.00 -0.00 -0.01 0.04 0.05 -0.05 -0.05 0.02 -0.01 -0.10 -0.01 0.07 0.28 -0.05 -0.01 -0.04 -0.02 -0.00 -0.02 -0.00 -0.05 0.16 0.02 0.01 0.21 0.02 -0.00 0.20 0.00 -0.00 -0.10 0.02 -0.01 -0.03 0.01 -0.01 -0.26 -0.01 -0.00 -0.13 0.01 -0.01 -0.21 0.02 -0.01 -0.03 -0.01 0.00 -0.05 -0.02 0.04 0.04 0.00 0.06 0.04 -0.11 0.00 -0.01 -0.15 0.16 -0.00 -0.25 -0.08 0.02 -0.06 -0.07 -0.03 0.16 -0.02 -0.01 0.32 0.07 -0.07 0.21 -0.19 0.10 0.12 0.02 -0.04 -0.01 -0.02 0.02 -0.01 -0.00 -0.04 0.00 -0.04 0.02 -0.06 0.03 0.00 -0.15 0.07 0.08 -0.08 -0.08 -0.01 0.00 0.12 -0.02 0.10 0.03 -0.02 0.13 0.14 0.04 0.20 -0.02 -0.08 0.08 0.02 -0.03 -0.06 -0.04 0.01 -0.02 0.00 0.02 -0.05 -0.01 0.06 -0.04 -0.08 -0.03 -0.01 0.04 -0.04 -0.07 0.01 -0.03 0.04 0.02 0.07 0.01 -0.04 -0.10 0.04 -0.02 0.05 0.02 0.02 0.04 -0.05 0.05 0.02 -0.06 0.06 0.09 -0.02 0.02 0.03 -0.03 0.04 0.10 -0.11 -0.06 -0.03 0.13 -0.05 0.02 0.03 0.05 -0.14 -0.02 0.01 -0.02 0.01 0.01 -0.04 -0.02 -0.00 -0.07 0.02 -0.01 0.09 -0.01 -0.02 -0.01 -0.04 -0.00 -0.10 0.01 -0.02 0.08 0.04 -0.01 0.12 -0.04 0.01 0.02 -0.05 0.04 0.03 -0.09 0.00 0.01 -0.01 0.09 -0.06 -0.01 0.09 -0.12 -0.01 0.07 -0.17 0.01 0.22 -0.01 0.09 0.02 0.06 0.17 0.07 0.04 0.12 -0.04 0.19 0.13 0.06 0.01 0.07 0.05 -0.05 0.05 0.02 -0.03 0.12 -0.00 -0.00 -0.00 0.09 0.06 -0.01 0.07 0.16 -0.00 0.08 0.12 -0.03 0.22 -0.00 -0.14 -0.01 -0.07 -0.17 -0.11 -0.24 -0.25 0.05 -0.00 -0.18 0.03 -0.02 -0.12 -0.16 -0.03 0.14 -0.17 0.01 0.02 -0.12 -0.02 -0.12 -0.13 0.11 0.13 -0.17 -0.10 0.02 0.00 0.01 -0.01 0.19 -0.01 -0.02 0.05 0.04 0.01 0.01 0.01 -0.01 0.01 -0.02 0.01 -0.00 -0.03 0.02 -0.01 -0.09 -0.04 -0.00 0.01 -0.02 0.07 0.02 0.02 -0.01 -0.01 0.00 0.01 -0.01 -0.03 -0.08 0.04 0.00 0.01 0.01 0.00 -0.01 0.02 0.01 0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 0.01 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.02 -0.00 -0.01 0.05 0.06 -0.00 0.24 0.22 -0.04 -0.13 0.03 0.02 -0.16 0.17 0.13 -0.24 -0.05 -0.02 -0.18 -0.01 -0.01 -0.14 0.03 -0.04 -0.27 -0.04 0.03 -0.18 0.15 -0.18 -0.16 0.00 -0.01 0.04 -0.07 -0.00 0.01 -0.00 -0.01 0.21 -0.21 -0.05 -0.13 -0.03 0.02 -0.25 0.05 -0.01 -0.16 -0.19 0.09 -0.14 0.01 -0.00 -0.12 -0.03 -0.03 -0.16 -0.14 -0.15 -0.24 0.03 0.03 -0.13 -0.00 -0.01 0.02 0.02 -0.01 0.01 -0.00 -0.01 0.06 0.01 -0.01 -0.05 0.09 -0.02 -0.06 -0.06 -0.01 0.08 0.00 0.08 0.03 -0.01 -0.02 -0.01 0.01 0.03 0.01 -0.01 0.00 0.01 0.00 0.00 0.01 -0.01 -0.01 -0.02 0.01 0.02 0.03 0.10 -0.04 -0.02 -0.02 -0.23 -0.04 0.05 0.05 0.03 0.01 -0.05 0.01 -0.06 0.25 -0.00 -0.04 -0.01 0.01 -0.04 0.06 0.01 -0.01 0.11 -0.02 -0.00 -0.12 -0.01 0.03 0.05 0.06 -0.01 0.14 0.00 0.03 -0.10 -0.07 -0.00 -0.16 -0.04 0.05 0.03 -0.08 0.03 -0.05 -0.15 -0.02 -0.02 0.14 -0.04 0.06 0.16 -0.18 -0.05 0.24 0.05 0.21 0.22 -0.10 0.05 0.01 -0.07 0.01 0.01 -0.10 -0.13 0.01 -0.07 0.03 0.06 -0.16 0.09 0.06 -0.01 0.05 0.03 0.02 -0.03 0.17 -0.09 -0.00 -0.15 -0.04 -0.01 -0.29 0.06 -0.08 -0.18 -0.21 0.08 -0.18 -0.01 -0.03 -0.02 -0.03 -0.03 -0.02 -0.03 -0.06 -0.03 -0.03 0.03 -0.04 -0.05 -0.04 -0.03 -0.02 0.03 0.02 -0.03 -0.01 -0.03 -0.03 0.02 0.01 -0.07 0.03 0.01 -0.02 -0.05 -0.04 -0.03 -0.02 0.00 0.07 0.03 0.01 -0.04 0.03 -0.06 0.02 -0.01 0.04 0.01 0.02 -0.00 -0.03 0.05 0.13 -0.13 -0.14 0.01 -0.03 -0.00 0.01 -0.00 -0.17 -0.05 -0.04 0.04 0.05 -0.06 -0.04 -0.01 -0.02 0.17 0.01 0.01 -0.03 -0.01 0.00 0.03 0.02 0.00 0.08 -0.02 0.01 -0.08 0.01 -0.00 0.04 0.01 0.00 0.11 -0.02 -0.00 -0.06 -0.01 0.01 -0.10 0.01 -0.02 0.05 0.05 0.02 -0.03 0.20 0.14 -0.05 -0.05 0.06 -0.00 -0.07 0.13 0.01 -0.11 0.01 -0.11 -0.07 0.14 0.02 -0.15 0.04 0.03 -0.29 -0.03 0.14 -0.19 0.18 -0.10 -0.16 0.04 0.03 -0.06 0.00 0.03 -0.02 -0.03 -0.05 -0.19 0.11 0.05 0.05 0.08 0.02 0.11 0.02 0.16 0.07 0.15 0.01 0.07 0.18 -0.02 0.14 0.06 -0.04 0.18 0.19 0.09 0.27 0.00 -0.19 0.17 0.09 -0.02 -0.07 -0.09 0.01 0.06 -0.09 -0.00 -0.02 -0.06 0.01 -0.10 -0.06 0.05 0.14 -0.01 -0.05 -0.03 -0.03 -0.02 -0.01 0.09 0.02 -0.01 -0.01 0.00 0.01 -0.01 -0.01 -0.02 -0.02 0.01 0.01 -0.01 -0.00 0.05 -0.05 -0.05 -0.10 0.01 -0.05 -0.05 -0.03 -0.04 -0.03 -0.08 0.02 -0.01 0.08 -0.01 -0.05 0.01 0.10 -0.03 -0.00 0.02 -0.03 -0.00 0.05 0.00 0.02 0.04 -0.01 -0.02 -0.03 0.03 -0.00 -0.01 0.00 0.02 0.05 0.03 0.01 -0.06 -0.01 -0.02 -0.04 -0.01 -0.04 0.04 -0.04 -0.03 0.00 -0.07 -0.06 0.00 0.05 0.05 -0.06 0.06 -0.00 -0.15 0.08 0.05 -0.19 0.07 0.21 0.00 0.08 0.02 0.09 0.16 0.09 0.15 0.10 -0.06 0.18 0.05 0.11 0.01 -0.02 0.04 0.03 -0.00 0.06 0.01 -0.06 0.08 0.03 0.02 -0.03 -0.09 0.05 -0.02 -0.24 0.03 0.01 -0.13 0.01 -0.19 -0.03 0.11 -0.04 0.07 0.13 0.06 0.19 0.22 -0.13 0.16 0.08 -0.17 -0.05 -0.01 -0.00 -0.05 0.02 -0.02 -0.05 0.15 -0.01 -0.06 -0.19 0.17 -0.02 -0.17 -0.19 -0.04 0.22 -0.02 0.20 0.07 0.02 -0.08 0.02 -0.02 0.01 0.06 -0.03 -0.01 0.06 0.03 0.01 0.01 -0.01 0.04 -0.07 0.05 0.17 0.24 0.01 0.02 0.11 -0.00 -0.01 -0.06 -0.01 0.04 -0.05 -0.02 0.02 0.12 0.01 -0.07 0.08 -0.00 -0.02 0.08 0.01 -0.04 0.02 -0.04 -0.03 0.03 0.04 -0.00 -0.04 0.00 0.03 0.02 -0.04 -0.06 -0.03 -0.01 0.05 0.03 0.04 -0.03 0.01 0.02 -0.03 0.04 0.00 -0.03 0.02 -0.00 0.02 0.01 -0.02 0.01 0.01 -0.01 0.02 0.00 -0.02 0.04 0.00 -0.06 -0.01 0.04 0.02 -0.03 0.09 0.06 0.02 0.05 -0.05 -0.06 -0.05 0.06 -0.05 0.04 -0.01 -0.02 0.01 -0.05 0.01 0.01 0.00 -0.00 0.03 -0.01 0.04 0.03 -0.02 0.08 0.03 -0.01 0.06 0.02 0.03 0.02 0.02 0.03 -0.02 0.02 0.08 -0.08 0.05 0.01 -0.05 -0.05 0.06 0.03 -0.09 0.04 0.04 -0.07 -0.05 0.03 -0.03 -0.01 0.08 -0.35 0.22 -0.09 -0.25 -0.16 -0.09 -0.05 -0.06 0.04 0.04 -0.00 0.10 0.02 -0.01 -0.09 -0.11 0.05 0.01 -0.11 -0.05 0.00 -0.06 0.04 0.00 0.28 -0.22 -0.53 0.04 -0.00 0.00 0.03 -0.02 -0.01 0.05 0.04 -0.02 -0.07 0.04 0.02 -0.00 -0.02 -0.00 0.02 -0.01 -0.01 0.00 -0.01 -0.00 0.02 -0.00 -0.00 -0.01 0.01 -0.01 0.00 0.01 0.01 0.03 -0.00 -0.00 -0.01 0.01 0.01 -0.02 0.01 -0.01 0.03 0.02 0.02 0.04 -0.03 0.01 0.06 -0.02 -0.01 -0.03 0.02 0.04 -0.04 0.06 0.10 -0.05 0.01 0.03 -0.07 -0.01 0.02 -0.09 -0.01 -0.02 -0.18 -0.08 -0.04 -0.11 0.08 -0.11 -0.06 -0.09 0.05 -0.03 -0.03 -0.02 -0.02 0.01 -0.01 -0.05 -0.02 0.01 0.05 0.02 -0.03 0.08 -0.00 -0.04 0.05 0.07 -0.08 0.06 -0.01 -0.02 0.09 -0.01 0.01 0.11 0.10 0.09 0.19 -0.08 0.04 0.05 -0.08 -0.04 0.03 -0.07 -0.00 -0.05 -0.08 0.00 -0.00 -0.01 0.01 0.27 -0.26 0.10 -0.36 -0.32 -0.12 -0.01 0.55 0.02 0.01 0.10 0.01 -0.00 -0.01 -0.02 -0.02 0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.02 0.02 -0.07 -0.02 -0.01 -0.06 0.03 0.01 0.08 0.02 0.02 0.09 0.03 -0.01 0.01 -0.00 -0.01 0.02 0.01 -0.00 0.02 0.00 0.00 -0.00 -0.02 0.00 -0.00 0.02 -0.02 0.02 -0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.05 0.03 -0.09 0.02 0.08 -0.11 0.01 0.12 -0.08 0.01 -0.03 0.01 -0.06 -0.04 0.06 -0.06 -0.06 -0.04 -0.20 -0.04 0.13 -0.02 -0.04 0.03 0.06 -0.08 0.03 0.22 -0.06 0.08 0.03 -0.07 0.12 -0.03 0.11 0.14 0.03 0.05 0.12 0.02 0.17 0.11 0.02 -0.05 -0.01 -0.08 -0.10 0.06 -0.27 -0.06 -0.08 -0.06 -0.08 -0.16 -0.03 -0.04 -0.04 0.07 -0.05 -0.10 0.04 -0.08 -0.05 0.27 -0.07 -0.16 -0.04 -0.03 -0.05 0.03 -0.01 0.05 0.03 -0.04 -0.00 0.03 -0.06 -0.04 0.01 -0.05 0.03 0.00 -0.08 -0.01 -0.10 -0.08 0.00 0.03 0.00 -0.06 -0.07 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.25 0.21 0.47 0.01 -0.02 0.01 0.02 0.03 -0.00 -0.01 0.03 0.00 0.01 -0.02 -0.01 0.02 -0.01 0.03 0.01 0.01 -0.02 0.02 0.01 -0.01 0.00 -0.00 -0.01 0.01 0.02 -0.02 0.00 -0.00 0.04 -0.01 -0.00 -0.02 -0.00 -0.00 0.02 0.02 0.02 -0.04 -0.01 0.04 -0.01 -0.02 0.04 -0.01 -0.05 0.02 -0.00 0.01 -0.00 0.03 0.01 -0.01 0.04 0.02 0.01 0.09 0.01 -0.07 0.00 0.01 -0.01 -0.04 0.02 -0.01 -0.09 0.01 -0.02 -0.05 0.01 -0.05 0.00 0.01 -0.01 0.00 0.01 -0.02 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.02 0.00 -0.00 0.04 -0.00 0.01 0.04 -0.02 0.04 -0.00 0.01 0.00 -0.02 0.01 0.01 -0.03 0.02 0.00 -0.05 0.00 0.02 -0.01 -0.01 0.02 -0.00 0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.02 -0.01 0.01 -0.01 0.02 0.02 0.00 0.00 -0.04 -0.05 -0.03 -0.01 0.00 -0.00 -0.02 -0.01 -0.00 0.04 -0.01 -0.05 -0.44 0.36 0.78 0.00 -0.09 0.01 0.11 0.05 -0.02 -0.03 0.01 -0.01 0.02 0.02 -0.03 -0.12 0.03 0.08 0.06 0.21 -0.01 -0.06 0.20 0.01 0.03 0.17 -0.04 -0.05 0.17 -0.06 0.08 0.06 0.07 -0.10 0.17 -0.12 -0.07 0.06 0.05 0.08 0.17 -0.14 0.03 0.08 -0.01 0.04 0.06 -0.01 -0.13 -0.07 0.01 -0.00 0.03 0.07 -0.01 0.06 0.15 -0.03 0.03 0.14 -0.05 -0.08 0.02 -0.01 -0.01 -0.07 -0.03 -0.03 -0.14 -0.01 -0.01 -0.16 -0.05 -0.09 0.02 -0.06 0.04 0.03 -0.05 0.08 0.03 0.11 -0.10 -0.03 -0.00 0.01 -0.07 0.02 0.02 -0.17 -0.00 0.04 -0.16 0.04 -0.12 -0.01 0.02 0.01 0.09 0.03 0.01 0.21 0.05 -0.02 0.12 0.08 -0.06 0.00 -0.03 -0.03 -0.01 0.03 -0.01 -0.01 0.00 -0.02 -0.00 -0.02 -0.03 0.02 0.04 -0.01 -0.01 0.00 -0.02 0.01 0.01 0.01 -0.00 0.01 0.02 -0.02 0.12 -0.10 -0.02 -0.11 -0.10 0.00 -0.02 0.01 0.00 0.23 -0.18 -0.40 0.02 0.02 -0.01 -0.03 0.02 0.12 -0.01 -0.03 -0.06 -0.02 0.03 -0.07 -0.00 -0.04 0.10 -0.02 -0.04 -0.02 -0.00 -0.04 -0.03 -0.02 -0.03 -0.21 -0.01 -0.03 -0.21 0.01 -0.01 0.26 -0.01 -0.02 -0.55 0.03 -0.01 0.27 -0.05 -0.03 -0.54 -0.02 -0.03 0.02 -0.03 -0.00 0.05 0.02 0.04 -0.01 -0.02 0.01 -0.03 -0.02 0.03 -0.04 -0.03 -0.01 -0.10 -0.02 0.09 0.00 0.02 -0.01 0.05 0.04 -0.00 0.03 0.02 -0.02 0.11 0.05 0.00 0.02 -0.02 -0.02 0.04 -0.02 -0.00 0.02 -0.03 -0.01 -0.01 -0.02 -0.03 0.00 -0.04 -0.01 -0.05 -0.03 -0.05 0.01 -0.03 -0.07 0.01 0.01 0.02 0.03 0.02 0.04 0.06 0.03 0.02 -0.02 0.04 0.04 0.04 -0.00 -0.03 -0.02 -0.01 0.03 -0.02 0.00 0.00 -0.00 0.01 -0.03 0.01 0.01 0.04 0.01 0.01 0.00 0.02 0.02 0.00 -0.00 0.00 -0.01 -0.03 -0.01 0.01 -0.02 0.03 0.02 -0.03 -0.02 0.01 0.01 0.07 -0.06 -0.13 -0.09 0.14 -0.05 0.07 -0.07 0.04 0.05 0.06 0.07 0.03 -0.08 0.17 -0.02 -0.03 -0.01 0.04 -0.01 0.11 -0.01 -0.02 0.10 0.05 0.02 -0.10 -0.05 0.02 -0.08 0.03 0.04 0.05 0.07 0.03 -0.31 -0.02 0.04 0.06 -0.09 0.02 -0.30 0.14 0.04 -0.04 0.17 -0.10 -0.00 0.08 -0.21 0.04 0.01 0.00 0.06 0.01 0.05 0.20 -0.02 -0.01 0.12 -0.07 -0.13 -0.01 0.00 0.03 -0.11 -0.05 0.02 -0.04 -0.01 0.05 -0.28 -0.11 0.01 -0.06 -0.03 -0.04 -0.06 -0.01 -0.03 -0.09 -0.04 -0.05 0.01 0.03 0.09 -0.01 0.08 0.02 0.20 0.04 0.16 -0.01 0.05 0.27 -0.07 0.01 -0.07 -0.11 0.01 -0.08 -0.12 0.01 -0.08 -0.07 -0.01 -0.11 -0.15 0.03 0.03 0.03 0.02 -0.10 0.06 -0.01 -0.02 0.02 -0.07 0.10 -0.03 0.05 -0.06 -0.03 -0.02 0.01 -0.04 -0.05 -0.01 0.03 -0.01 0.01 0.08 -0.00 -0.02 -0.00 -0.02 -0.03 -0.00 0.01 -0.02 0.03 -0.05 0.03 0.12 0.08 0.15 0.00 0.03 -0.03 0.04 -0.02 -0.07 -0.10 -0.04 0.06 -0.09 -0.07 -0.05 -0.06 0.01 -0.02 -0.08 -0.04 -0.01 -0.11 0.05 0.02 0.06 -0.05 0.02 0.09 0.02 0.04 -0.06 0.08 0.02 0.25 -0.03 0.04 -0.03 -0.06 0.02 0.27 0.02 -0.04 0.05 0.04 -0.06 0.05 0.05 -0.08 0.00 -0.02 0.04 -0.01 -0.03 0.10 0.00 -0.06 -0.01 -0.17 -0.06 0.17 0.03 -0.01 -0.04 0.07 -0.02 -0.04 0.09 -0.01 -0.03 0.07 -0.01 -0.03 0.07 -0.15 -0.08 -0.00 -0.12 0.03 0.06 -0.06 -0.19 -0.05 -0.01 -0.02 -0.04 0.03 -0.02 -0.12 -0.00 0.03 -0.17 0.06 -0.16 0.03 -0.01 0.05 0.12 0.01 0.07 0.27 0.04 0.04 0.04 0.09 0.05 0.09 -0.02 -0.09 -0.03 -0.02 0.01 -0.04 0.00 -0.03 -0.01 -0.08 -0.05 0.03 0.07 0.07 0.02 0.01 0.01 0.03 0.03 0.01 -0.02 -0.04 -0.03 0.01 0.01 -0.03 0.00 -0.00 -0.02 0.00 0.02 -0.01 -0.01 -0.24 0.19 0.43 0.09 -0.00 0.03 -0.08 0.00 -0.06 0.03 0.01 0.19 0.03 -0.01 0.16 -0.07 0.00 -0.07 -0.06 0.00 0.11 -0.06 0.00 0.10 -0.05 0.02 -0.04 -0.04 -0.02 -0.04 -0.01 -0.01 0.00 -0.06 0.02 -0.19 -0.01 0.00 0.01 -0.05 -0.02 -0.19 -0.10 -0.09 -0.05 -0.12 0.01 -0.07 -0.02 0.13 -0.00 0.00 -0.13 -0.12 0.02 -0.24 -0.26 0.07 -0.08 -0.05 0.10 -0.12 -0.09 -0.02 0.04 0.04 -0.00 0.08 0.18 -0.01 0.07 0.16 0.03 0.19 -0.13 -0.12 -0.01 -0.07 -0.10 0.09 -0.03 -0.02 -0.12 -0.01 0.00 0.11 -0.11 0.08 0.06 -0.06 0.02 0.22 -0.25 0.09 0.08 -0.08 -0.02 -0.03 0.05 -0.01 -0.05 0.16 -0.00 -0.07 0.18 0.03 -0.16 -0.10 0.04 0.04 0.07 0.05 -0.04 0.05 0.05 0.00 0.00 0.03 0.03 -0.01 0.03 -0.04 -0.01 0.04 0.00 -0.07 -0.09 0.01 -0.01 0.00 -0.02 -0.03 0.05 -0.02 -0.00 0.04 0.02 -0.00 0.00 0.01 -0.02 -0.09 0.08 0.14 -0.03 0.01 -0.01 -0.00 -0.01 0.07 -0.00 0.08 0.29 0.01 0.05 -0.26 -0.00 0.00 -0.06 -0.01 -0.00 0.03 -0.00 -0.00 -0.02 -0.01 -0.01 -0.02 0.01 -0.01 0.02 -0.01 -0.01 -0.03 -0.02 -0.01 -0.02 0.01 -0.01 0.03 0.01 -0.01 0.01 0.03 0.00 -0.12 0.04 -0.03 -0.05 0.03 -0.04 0.04 0.01 -0.12 -0.04 0.02 -0.16 -0.00 0.03 -0.06 0.16 0.02 -0.32 -0.12 -0.00 0.10 -0.14 -0.05 0.12 0.03 -0.02 0.16 -0.20 -0.05 0.21 -0.23 -0.00 -0.02 0.05 0.01 -0.02 0.11 -0.01 0.01 -0.03 0.00 -0.12 0.07 -0.03 -0.08 -0.10 -0.01 -0.17 0.06 -0.02 -0.28 0.12 0.00 0.09 0.10 0.02 0.15 0.11 0.03 0.11 -0.08 0.03 0.22 0.22 -0.03 -0.00 0.13 0.03 -0.02 -0.12 -0.00 -0.01 -0.00 -0.03 -0.04 0.02 0.03 -0.06 -0.02 -0.00 -0.01 0.00 0.00 0.09 0.00 0.02 0.02 0.02 -0.00 0.01 0.00 0.01 0.01 -0.00 0.01 -0.00 0.00 -0.02 0.02 0.02 0.00 0.04 -0.00 -0.01 -0.01 -0.15 -0.00 -0.06 -0.01 -0.05 -0.03 -0.08 0.05 0.04 -0.14 0.02 0.04 0.20 0.04 0.04 0.19 0.03 0.09 -0.05 -0.01 0.09 -0.05 0.03 0.08 -0.03 0.04 0.10 -0.32 -0.02 0.07 -0.01 -0.04 0.09 -0.31 -0.06 -0.10 0.05 -0.04 -0.02 -0.04 -0.01 0.02 -0.01 -0.01 -0.04 -0.07 -0.01 -0.06 -0.19 -0.00 -0.05 -0.18 0.04 0.12 -0.00 -0.04 -0.04 0.13 -0.04 -0.03 0.20 -0.04 -0.02 0.21 0.00 0.03 0.05 0.05 -0.01 -0.03 0.06 -0.12 0.02 0.02 0.02 -0.01 0.04 -0.12 0.13 0.02 -0.12 0.17 0.03 -0.14 0.20 -0.00 -0.04 0.09 0.00 0.01 -0.07 -0.00 0.03 -0.20 -0.02 0.04 -0.20 -0.05 0.15 0.09 0.01 -0.01 -0.01 -0.06 0.05 -0.04 -0.01 0.02 -0.02 0.03 -0.03 0.01 -0.04 0.05 0.03 0.00 0.02 0.04 0.04 0.01 -0.03 -0.03 0.02 0.07 0.03 -0.04 0.00 -0.06 -0.05 0.01 0.03 -0.03 -0.01 -0.09 0.07 0.15 -0.00 -0.04 0.02 0.06 -0.03 -0.15 -0.05 0.02 -0.05 -0.01 0.06 0.00 0.01 0.02 -0.16 0.05 -0.02 0.20 0.05 -0.03 0.20 -0.02 -0.10 -0.05 0.07 -0.09 -0.05 -0.03 -0.09 -0.02 -0.07 -0.09 -0.32 0.05 -0.10 -0.03 0.10 -0.09 -0.33 0.06 0.12 0.02 0.06 0.02 -0.04 0.01 -0.02 -0.00 0.03 0.11 0.12 0.03 0.15 0.20 0.01 0.11 0.16 -0.01 0.04 0.08 -0.00 0.00 -0.08 -0.03 -0.04 -0.18 -0.01 -0.01 -0.22 -0.07 -0.13 0.07 -0.05 0.01 -0.05 -0.06 0.10 0.05 -0.02 -0.03 -0.01 -0.01 0.04 -0.07 0.00 0.05 -0.17 -0.01 0.06 -0.18 0.05 -0.12 0.00 -0.04 0.04 0.13 -0.04 0.01 0.19 -0.05 0.03 0.20 -0.01 -0.03 0.06 -0.07 -0.07 -0.04 -0.00 0.03 -0.01 0.00 -0.02 -0.04 -0.05 -0.07 0.04 0.03 0.05 0.03 0.02 -0.02 0.05 0.04 -0.00 -0.06 0.00 0.01 -0.00 -0.07 0.06 0.01 0.02 0.04 0.00 0.01 -0.01 0.00 -0.03 0.02 0.05 0.05 -0.05 -0.06 -0.08 -0.06 -0.05 0.06 0.06 -0.19 0.06 -0.05 -0.16 -0.10 0.08 -0.04 -0.12 0.03 0.06 -0.10 0.02 0.04 -0.13 0.03 -0.01 -0.05 -0.07 -0.01 -0.05 -0.05 -0.01 -0.21 0.03 -0.08 -0.01 -0.05 0.00 -0.03 -0.07 -0.08 -0.02 0.02 0.05 -0.01 -0.05 0.04 0.06 -0.01 -0.02 0.02 0.06 0.04 0.02 0.03 0.01 0.04 0.06 -0.00 0.03 0.12 0.07 0.02 -0.05 0.05 0.09 -0.04 -0.10 0.05 -0.13 0.12 0.06 -0.13 0.12 -0.03 0.06 0.03 -0.05 0.02 0.06 0.07 -0.00 -0.02 0.02 -0.02 0.01 0.06 -0.04 -0.06 0.02 0.03 -0.08 0.05 -0.13 0.06 0.01 0.06 0.10 0.04 0.14 0.21 0.09 0.04 -0.03 0.07 0.11 0.12 0.06 0.16 -0.05 0.05 -0.15 -0.03 -0.11 -0.00 0.10 0.05 0.18 -0.09 0.04 -0.17 -0.10 -0.18 0.00 -0.03 0.03 -0.01 0.19 -0.17 0.13 0.33 0.05 -0.00 -0.00 0.07 0.04 -0.00 0.07 -0.06 -0.06 -0.07 0.05 0.16 -0.00 0.03 -0.00 -0.01 0.05 -0.03 0.04 -0.07 0.03 -0.05 -0.06 -0.01 0.01 0.04 0.07 -0.06 0.20 -0.03 0.07 0.20 0.00 -0.20 0.01 0.02 0.21 0.01 -0.02 -0.08 -0.18 0.03 -0.47 0.00 0.06 0.09 -0.18 -0.03 0.48 0.01 -0.00 0.06 -0.08 0.01 0.06 -0.02 -0.01 -0.04 -0.10 0.02 -0.02 -0.03 -0.04 -0.03 0.04 -0.01 -0.07 -0.08 -0.15 -0.05 0.04 -0.02 -0.02 -0.01 0.04 -0.08 -0.02 0.18 -0.04 0.06 -0.02 -0.06 0.06 -0.01 -0.05 -0.03 0.01 -0.05 -0.08 -0.03 0.03 -0.10 -0.02 0.01 -0.02 0.03 0.07 -0.07 0.15 0.03 0.05 0.01 0.04 0.07 0.00 0.02 -0.02 -0.06 0.04 0.04 0.00 0.07 -0.03 -0.18 0.06 0.04 -0.02 0.04 -0.03 0.01 -0.05 -0.02 0.00 0.01 -0.01 -0.00 -0.01 0.02 -0.00 0.01 0.03 0.01 0.01 0.04 -0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.02 -0.00 0.06 -0.00 -0.00 0.06 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 0.06 -0.07 -0.18 0.08 0.07 0.08 -0.03 -0.08 0.12 -0.01 0.08 0.12 0.07 -0.07 0.09 0.13 0.01 -0.07 0.13 0.01 -0.07 0.09 -0.05 -0.01 0.10 0.04 -0.01 0.04 -0.00 0.01 0.11 -0.05 0.05 0.05 -0.02 0.02 0.15 0.04 0.07 0.01 -0.04 -0.03 -0.01 0.07 0.02 -0.08 0.02 -0.00 -0.03 -0.06 -0.06 -0.04 -0.01 -0.01 -0.07 -0.09 -0.07 -0.06 -0.08 -0.07 -0.01 0.03 -0.02 -0.05 0.03 0.11 -0.03 0.09 -0.04 -0.02 0.11 -0.09 0.00 -0.06 0.01 0.03 0.06 -0.02 -0.07 0.01 0.00 -0.03 0.06 -0.06 -0.08 0.10 -0.11 -0.04 -0.00 -0.02 -0.05 0.04 -0.06 -0.02 -0.02 0.01 -0.04 -0.09 -0.03 -0.07 -0.02 0.16 -0.04 -0.11 -0.07 -0.02 -0.11 0.05 -0.02 0.14 0.06 0.10 0.01 -0.01 -0.06 -0.11 0.04 -0.10 0.11 0.05 0.14 -0.00 -0.05 -0.09 -0.00 -0.06 -0.23 0.22 0.52 -0.07 0.03 0.00 -0.06 -0.02 0.00 0.08 -0.08 -0.06 -0.02 -0.00 0.10 0.08 -0.01 -0.04 -0.04 -0.08 0.06 -0.08 0.13 0.16 -0.08 -0.14 0.18 -0.04 0.08 0.06 -0.09 -0.00 -0.06 -0.09 -0.00 -0.05 -0.06 0.03 0.01 -0.06 -0.04 0.01 -0.03 -0.00 0.01 -0.08 0.03 0.09 -0.03 0.00 0.01 -0.08 -0.04 0.09 -0.06 0.02 -0.04 0.03 -0.11 -0.01 0.13 -0.03 0.02 0.01 -0.05 -0.02 0.03 -0.17 -0.09 0.09 0.03 0.13 0.07 -0.16 -0.05 0.01 0.04 -0.06 0.04 0.06 -0.05 0.02 0.02 0.02 0.04 0.06 -0.09 0.03 0.11 -0.01 -0.06 -0.02 -0.05 0.14 0.04 0.02 0.01 0.06 -0.03 0.10 -0.02 0.13 0.03 0.19 -0.09 0.06 0.17 -0.06 0.01 -0.04 -0.06 0.02 -0.03 0.01 0.04 -0.06 -0.04 0.04 -0.08 -0.11 -0.13 0.01 -0.09 -0.13 -0.01 -0.07 -0.19 0.01 -0.21 0.02 -0.08 0.07 0.01 0.08 0.07 -0.18 -0.01 0.31 0.28 0.01 -0.28 -0.04 0.03 0.08 0.04 -0.01 -0.00 0.04 0.01 -0.00 -0.00 -0.01 -0.02 -0.02 0.01 0.03 0.09 -0.01 0.00 -0.09 -0.03 -0.02 -0.02 -0.02 -0.01 -0.02 0.01 0.00 -0.09 0.03 -0.02 -0.16 0.02 0.01 -0.16 -0.02 0.01 -0.16 0.03 0.01 -0.16 -0.03 0.01 -0.10 -0.02 0.00 -0.24 0.03 0.01 -0.10 0.02 0.01 -0.24 -0.03 0.01 0.08 0.10 -0.01 0.01 -0.02 -0.01 0.01 -0.02 0.01 0.04 0.11 0.12 0.04 0.16 0.22 0.01 0.11 0.16 -0.02 0.03 0.07 0.03 0.05 -0.13 0.00 0.02 -0.18 0.02 0.04 -0.27 -0.04 -0.03 -0.03 0.01 0.03 -0.01 0.08 -0.09 -0.02 0.01 0.03 0.01 0.04 -0.11 0.11 0.01 -0.10 0.16 0.04 -0.15 0.21 -0.01 -0.01 0.06 0.03 -0.05 -0.13 0.02 -0.05 -0.27 0.00 -0.02 -0.17 -0.04 0.02 -0.04 -0.03 -0.11 0.04 -0.03 0.11 0.05 0.11 -0.00 0.03 -0.10 -0.09 0.03 -0.10 0.09 0.03 0.16 0.00 -0.07 -0.09 -0.00 -0.00 -0.02 0.01 0.02 0.09 -0.04 -0.01 0.09 0.04 -0.01 0.01 -0.00 -0.01 -0.02 0.02 0.04 -0.00 0.00 0.00 0.01 -0.01 -0.07 0.01 -0.01 -0.00 -0.01 -0.02 0.00 -0.02 -0.01 0.08 0.02 0.01 0.12 -0.01 0.01 -0.13 0.01 -0.00 0.14 -0.00 -0.01 -0.14 -0.03 -0.00 -0.53 -0.00 -0.00 0.41 0.04 -0.01 0.53 0.01 -0.01 -0.40 0.01 -0.00 0.01 -0.00 0.01 -0.04 -0.01 0.01 0.00 0.01 0.01 0.01 0.00 0.02 0.00 0.00 0.00 -0.01 0.01 0.03 0.02 -0.01 -0.01 0.01 -0.02 -0.01 0.03 -0.01 0.00 -0.02 -0.02 -0.01 0.02 0.00 0.01 0.04 -0.01 -0.00 -0.01 0.02 0.01 -0.00 -0.01 0.01 -0.01 -0.00 0.01 0.01 -0.00 0.02 -0.00 -0.01 0.03 -0.02 0.01 -0.01 -0.02 0.01 0.00 0.02 0.02 -0.02 -0.03 0.03 -0.01 -0.03 0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.02 -0.00 0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.04 0.08 0.01 0.11 -0.12 0.06 -0.12 -0.13 -0.06 -0.04 0.08 -0.01 0.07 -0.07 -0.01 -0.07 -0.07 0.01 0.10 -0.08 -0.01 -0.09 -0.08 0.01 0.04 0.01 0.02 0.17 -0.08 -0.04 -0.04 0.00 -0.02 -0.17 -0.08 0.03 0.15 -0.06 0.01 -0.02 0.13 -0.02 -0.15 0.06 -0.01 0.01 -0.00 0.00 -0.03 0.20 0.16 -0.13 -0.12 -0.14 -0.10 0.03 -0.01 0.01 0.01 -0.02 -0.12 -0.04 0.19 -0.03 0.14 -0.23 -0.10 0.07 -0.04 0.02 0.13 0.02 -0.16 -0.06 -0.01 0.15 0.06 0.01 -0.01 0.00 -0.00 0.15 -0.12 0.14 0.03 0.22 -0.17 0.10 0.04 0.01 -0.01 0.01 0.02 0.04 0.14 0.25 0.13 -0.04 -0.21 0.11 0.07 0.04 0.11 -0.08 -0.02 -0.12 -0.09 0.03 0.00 -0.07 -0.00 -0.03 0.06 -0.00 0.03 0.06 0.00 0.01 0.06 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.03 0.01 0.00 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.03 -0.08 0.02 -0.06 0.07 -0.04 -0.05 -0.07 -0.04 -0.03 0.08 0.02 -0.04 0.02 -0.01 -0.04 -0.02 -0.01 0.09 0.26 -0.01 0.10 -0.25 -0.01 0.18 0.06 -0.00 0.16 0.26 0.01 0.18 -0.06 -0.01 0.17 -0.25 0.02 -0.13 0.07 -0.01 -0.03 -0.08 0.02 0.09 0.00 0.00 -0.01 0.03 0.02 0.03 -0.15 -0.11 0.13 0.13 0.17 0.09 -0.03 0.02 -0.01 0.01 -0.02 0.12 0.05 -0.22 0.04 -0.11 0.17 0.09 -0.05 0.01 -0.03 0.07 0.02 -0.12 -0.07 -0.01 0.08 -0.00 -0.00 -0.01 -0.02 0.02 0.12 -0.12 0.15 0.02 0.15 -0.10 0.08 0.03 0.02 -0.01 -0.01 -0.02 0.04 0.10 0.16 0.11 -0.05 -0.21 0.09 0.04 0.00 -0.05 0.02 0.04 -0.04 -0.02 0.04 0.06 0.00 0.03 -0.01 -0.03 -0.00 -0.01 0.03 -0.00 0.15 -0.00 -0.05 -0.05 -0.00 0.02 -0.00 0.00 -0.01 -0.06 0.04 0.00 -0.06 -0.04 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.02 -0.00 -0.01 0.05 -0.05 0.01 -0.07 0.09 -0.05 -0.07 -0.09 -0.05 0.06 0.04 0.00 0.07 -0.06 -0.01 0.08 0.05 0.00 -0.01 -0.24 0.00 -0.01 0.25 -0.00 -0.12 -0.04 0.00 -0.01 -0.24 0.02 -0.11 0.05 0.01 -0.02 0.25 -0.01 -0.15 0.06 -0.01 0.01 -0.07 0.00 0.09 -0.02 0.01 -0.02 -0.01 -0.02 0.01 -0.21 -0.18 0.12 0.11 0.13 0.09 -0.05 -0.00 -0.03 -0.00 0.03 0.11 0.04 -0.18 0.02 -0.14 0.25 0.09 -0.06 0.05 0.01 0.06 0.02 -0.15 -0.06 -0.01 0.09 0.02 0.00 -0.03 0.02 -0.02 0.11 -0.09 0.11 0.01 0.21 -0.18 0.08 0.05 -0.01 -0.03 0.01 0.03 0.02 0.13 0.26 0.11 -0.04 -0.17 0.09 0.06 0.05 -0.05 0.05 0.05 -0.05 -0.05 0.05 0.05 -0.00 0.03 0.01 -0.03 -0.01 0.01 0.03 -0.01 0.15 0.00 -0.04 -0.04 -0.00 0.02 -0.00 0.00 0.01 0.03 -0.02 -0.00 0.02 0.02 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.02 0.00 0.26 0.04 -0.01 -0.10 0.00 -0.11 0.09 -0.00 0.10 -0.25 0.05 0.01 0.20 0.06 0.02 -0.20 0.07 -0.02 0.13 -0.11 -0.02 -0.12 -0.10 0.02 0.09 -0.14 0.00 -0.05 -0.12 -0.04 -0.10 -0.13 -0.00 0.05 -0.10 0.04 -0.04 -0.00 0.00 0.09 0.10 0.02 -0.01 -0.01 -0.01 -0.04 -0.08 -0.08 -0.04 -0.07 -0.11 -0.05 -0.09 -0.12 -0.04 -0.05 -0.07 -0.04 -0.04 0.11 -0.02 -0.04 0.08 -0.03 -0.07 0.19 0.00 -0.05 0.11 -0.09 0.12 -0.03 0.02 -0.01 -0.00 0.02 -0.01 0.01 0.04 -0.08 0.09 0.07 -0.11 0.14 0.05 -0.05 0.08 0.06 -0.05 0.08 0.03 -0.04 -0.11 0.03 -0.05 -0.17 0.03 -0.04 -0.11 0.00 -0.04 -0.10 -0.07 0.13 0.28 0.07 0.13 -0.27 0.00 0.13 0.00 0.02 -0.09 -0.06 -0.02 -0.09 0.05 0.01 -0.05 -0.00 -0.00 0.04 0.00 -0.00 -0.00 -0.00 -0.06 0.03 0.00 0.07 0.03 -0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.00 -0.01 -0.00 -0.14 0.00 0.00 0.01 -0.11 -0.11 -0.01 -0.11 0.10 0.14 -0.00 -0.00 -0.12 -0.06 -0.16 0.11 -0.06 0.15 -0.06 0.04 0.04 0.06 0.04 -0.04 -0.05 0.08 -0.03 0.07 0.04 0.21 0.05 0.08 0.03 -0.08 0.04 -0.22 0.09 -0.03 0.01 -0.04 -0.01 0.08 -0.02 -0.00 -0.02 0.04 0.05 0.07 0.01 0.22 0.20 -0.07 -0.03 -0.06 -0.06 0.11 0.06 0.04 0.03 -0.08 -0.01 0.01 -0.02 0.02 0.07 -0.17 -0.00 0.04 -0.08 0.04 -0.01 -0.07 -0.08 -0.03 -0.01 0.02 -0.00 0.01 -0.04 0.06 -0.06 0.06 -0.02 0.05 -0.01 0.21 -0.18 0.05 0.10 -0.06 -0.03 0.02 0.08 -0.02 0.06 0.16 0.01 0.01 0.03 0.00 0.03 0.08 0.03 0.06 0.38 -0.02 0.07 -0.37 -0.00 0.08 0.00 -0.02 -0.06 -0.08 0.02 -0.07 0.08 -0.01 -0.01 0.00 0.00 0.07 -0.00 -0.00 0.00 0.00 0.03 -0.02 -0.00 -0.03 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.04 0.02 0.05 -0.01 0.04 0.03 0.01 0.04 -0.03 -0.03 0.03 -0.05 0.01 0.01 -0.37 -0.01 0.01 0.37 0.03 -0.02 0.06 -0.03 -0.02 -0.06 0.02 -0.02 -0.06 0.03 -0.02 0.52 -0.01 -0.02 0.06 -0.03 -0.02 -0.53 -0.02 0.01 -0.01 0.02 0.02 0.11 0.01 -0.02 -0.02 -0.02 -0.05 -0.05 -0.02 -0.05 -0.02 -0.02 -0.04 -0.02 -0.04 -0.09 -0.07 -0.00 0.00 -0.00 0.04 0.03 -0.03 0.01 -0.02 0.09 0.05 0.02 -0.03 -0.03 0.03 -0.13 0.02 0.01 0.01 -0.01 -0.02 0.02 0.02 -0.05 0.05 0.03 -0.05 0.03 0.02 -0.05 0.02 0.05 -0.09 0.08 0.00 0.00 0.00 -0.01 -0.02 -0.09 -0.04 0.02 0.02 -0.05 0.02 0.03 -0.02 -0.01 -0.11 0.01 -0.01 0.10 0.00 -0.02 0.00 0.01 0.01 0.02 -0.01 0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.03 -0.18 0.01 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.05 0.01 0.01 0.08 -0.00 -0.00 -0.04 -0.01 0.00 0.01 -0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.04 0.01 -0.19 -0.01 -0.00 -0.01 -0.01 0.00 0.04 -0.00 -0.00 -0.01 -0.01 0.10 0.60 0.01 -0.03 -0.14 -0.03 -0.09 -0.09 -0.06 0.05 0.14 -0.14 -0.16 -0.11 -0.19 -0.17 -0.16 0.03 0.06 -0.13 0.16 0.13 -0.20 0.08 -0.02 0.16 0.19 0.10 -0.22 0.00 -0.05 0.20 0.01 0.00 -0.00 0.00 0.01 -0.05 -0.01 0.03 -0.03 -0.06 0.06 -0.05 -0.02 -0.03 0.06 -0.07 0.06 -0.06 0.01 -0.02 -0.04 0.02 0.00 0.05 0.05 -0.04 -0.06 0.06 -0.03 -0.07 -0.00 0.00 0.04 -0.01 -0.02 0.06 -0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.03 -0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.02 -0.01 0.00 0.01 0.00 -0.00 0.00 0.01 0.02 0.07 -0.01 0.00 -0.02 0.01 0.00 0.01 0.00 0.05 -0.19 -0.00 0.00 -0.11 -0.01 -0.01 0.13 0.00 -0.00 0.01 -0.02 -0.02 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.19 -0.01 -0.00 -0.01 -0.05 -0.02 -0.28 0.01 -0.00 0.00 0.02 -0.02 -0.18 -0.00 0.00 0.04 0.01 0.02 0.02 0.01 -0.01 -0.04 0.03 0.03 0.01 0.04 0.04 0.03 -0.01 -0.02 0.05 -0.06 -0.05 0.08 -0.03 0.01 -0.05 -0.06 -0.04 0.08 -0.01 -0.12 0.56 -0.00 -0.00 -0.01 0.00 0.03 -0.14 -0.03 0.08 -0.08 -0.14 0.15 -0.10 -0.05 -0.06 0.14 -0.18 0.16 -0.15 0.03 -0.05 -0.12 0.07 0.01 0.15 0.15 -0.12 -0.19 0.18 -0.09 -0.21 -0.01 0.02 0.04 0.01 0.01 0.01 -0.00 0.02 0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.02 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.02 0.04 0.01 -0.03 0.00 -0.15 -0.02 -0.01 -0.15 0.01 -0.05 0.01 -0.01 0.03 -0.00 -0.02 -0.03 0.00 -0.03 0.05 0.00 -0.03 -0.05 0.00 -0.01 0.00 0.00 -0.08 0.05 0.02 -0.01 -0.01 0.00 -0.07 -0.05 0.00 0.07 -0.02 0.00 0.05 0.03 -0.06 -0.02 -0.02 0.02 0.01 -0.02 -0.01 -0.01 0.09 0.05 -0.06 -0.08 -0.12 -0.05 0.02 -0.01 -0.00 -0.03 0.07 -0.07 -0.07 0.12 -0.02 0.01 -0.05 -0.07 -0.05 0.11 0.05 -0.03 -0.08 0.08 0.02 0.00 -0.02 0.01 0.02 0.01 0.02 -0.01 -0.06 0.08 -0.12 -0.01 -0.09 0.05 -0.04 -0.02 -0.01 -0.00 0.04 0.08 -0.03 -0.01 -0.06 -0.08 0.07 0.14 -0.07 0.05 0.12 -0.01 0.18 0.48 -0.02 -0.19 0.50 -0.04 0.00 0.03 0.00 -0.04 -0.11 -0.00 0.04 -0.12 -0.00 -0.00 0.04 0.01 0.01 -0.33 -0.01 0.01 -0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.08 -0.08 0.01 0.05 -0.14 0.01 0.05 0.14 0.01 -0.08 0.08 0.01 0.02 -0.08 -0.00 0.03 0.08 -0.00 0.09 -0.12 -0.01 0.10 0.12 -0.01 0.04 -0.00 -0.00 0.25 -0.13 -0.01 0.05 0.01 -0.00 0.25 0.13 0.00 -0.07 -0.07 0.02 -0.13 -0.09 0.00 0.01 0.05 -0.00 0.02 0.10 0.12 0.03 0.05 0.01 0.07 0.12 0.09 0.10 0.21 0.19 0.02 0.04 -0.15 0.07 0.08 -0.14 0.04 0.03 -0.04 0.08 0.11 -0.23 -0.13 0.09 0.02 -0.08 0.06 0.02 0.01 -0.05 -0.01 0.02 -0.10 0.12 0.08 -0.13 0.10 0.03 -0.04 0.01 0.11 -0.21 0.19 0.02 -0.05 -0.15 0.04 -0.02 -0.02 0.08 -0.09 -0.17 0.09 -0.11 -0.24 0.08 -0.02 0.08 0.08 0.02 0.09 0.01 0.00 0.01 0.01 0.02 -0.02 0.00 -0.02 -0.03 -0.11 -0.00 0.02 0.01 0.00 -0.08 -0.00 0.00 0.00 -0.02 0.00 0.00 -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.05 0.04 -0.01 -0.11 0.05 0.01 0.11 0.05 -0.01 0.05 0.03 0.01 -0.04 -0.04 0.01 0.04 -0.05 -0.02 -0.02 -0.02 0.02 0.02 -0.02 -0.02 -0.04 0.05 -0.00 0.07 -0.01 -0.11 0.04 0.05 0.00 -0.08 -0.02 0.11 0.13 -0.03 0.00 0.04 0.04 0.00 -0.02 -0.03 0.00 0.03 -0.05 -0.04 -0.01 0.19 0.17 -0.14 -0.18 -0.19 -0.12 -0.04 -0.07 0.04 -0.03 0.05 -0.14 -0.10 0.28 -0.02 0.13 -0.23 -0.12 0.01 0.06 -0.04 0.04 -0.00 -0.13 -0.03 -0.00 0.02 -0.02 -0.00 -0.03 -0.05 0.03 0.15 -0.18 0.19 0.01 0.20 -0.17 0.12 -0.03 0.07 -0.04 -0.03 -0.04 0.02 0.13 0.23 0.14 -0.10 -0.28 0.11 0.02 -0.05 -0.13 0.09 -0.09 0.12 0.09 0.09 -0.00 0.15 0.01 0.04 -0.04 0.02 -0.04 -0.04 -0.03 0.00 -0.04 -0.00 -0.00 -0.03 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 0.02 0.03 0.04 -0.02 -0.04 0.04 0.02 0.01 0.02 -0.02 -0.01 -0.01 -0.05 0.01 -0.01 0.05 -0.00 -0.01 0.11 -0.00 -0.01 -0.12 -0.02 0.01 -0.02 -0.00 -0.00 -0.64 0.02 0.01 0.03 -0.00 -0.01 0.69 0.01 0.04 -0.01 0.01 0.00 -0.01 0.00 -0.01 0.00 -0.01 -0.02 -0.03 -0.00 -0.04 -0.01 0.00 0.00 0.02 -0.02 -0.08 -0.06 -0.01 -0.00 0.04 0.00 -0.01 -0.02 -0.00 -0.03 0.03 -0.02 -0.05 0.09 -0.01 0.00 0.01 -0.01 0.04 0.01 -0.00 -0.01 -0.00 0.01 -0.02 0.03 -0.00 0.00 -0.02 0.00 -0.04 0.01 0.02 -0.07 0.06 0.01 -0.00 -0.04 0.00 -0.03 -0.03 -0.00 -0.01 0.02 0.01 -0.05 -0.09 0.02 -0.02 0.03 -0.02 -0.02 -0.02 -0.00 -0.05 -0.00 -0.02 0.00 -0.00 0.02 0.00 0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.00 -0.01 0.01 -0.02 0.07 0.13 -0.05 -0.08 0.13 0.05 0.02 0.00 0.02 -0.03 -0.03 0.05 0.03 -0.03 -0.05 -0.04 -0.01 -0.08 0.03 -0.02 0.08 -0.05 0.05 0.02 0.05 -0.02 0.47 0.05 0.05 -0.02 -0.07 -0.02 -0.48 0.06 0.09 -0.03 0.02 0.02 0.00 -0.01 -0.01 -0.00 -0.01 -0.05 -0.09 -0.01 -0.05 0.03 -0.02 -0.03 0.02 -0.08 -0.21 -0.17 -0.02 -0.02 0.11 -0.02 -0.05 0.01 -0.01 -0.06 0.02 -0.06 -0.13 0.24 -0.02 0.02 -0.00 -0.06 0.09 0.02 0.01 -0.00 0.00 0.01 -0.05 0.09 0.03 -0.04 -0.01 0.01 -0.04 -0.03 0.09 -0.21 0.17 0.01 -0.01 -0.11 0.01 -0.06 -0.02 0.02 -0.04 -0.00 0.06 -0.13 -0.25 0.03 -0.04 0.06 -0.03 -0.05 -0.05 -0.00 -0.11 -0.00 -0.06 0.00 -0.01 0.06 0.00 0.01 -0.00 0.02 0.00 0.00 0.02 -0.00 -0.01 0.02 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.01 -0.01 0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 0.01 0.00 0.05 0.00 -0.00 0.05 -0.01 0.00 -0.12 -0.01 -0.00 -0.12 -0.00 -0.00 0.04 0.00 -0.00 0.71 -0.00 0.00 0.04 0.00 0.00 0.67 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.08 0.02 0.02 0.08 -0.07 0.02 0.09 0.05 0.01 0.08 -0.03 0.01 0.02 0.05 -0.01 0.02 -0.05 -0.01 -0.05 0.06 0.02 -0.05 -0.05 0.02 -0.03 0.00 -0.00 -0.19 0.06 -0.10 -0.04 -0.01 -0.00 -0.18 -0.06 -0.07 -0.09 0.05 -0.01 0.05 0.04 -0.02 0.00 -0.01 0.01 -0.05 0.02 -0.00 -0.01 -0.22 -0.19 0.12 0.15 0.16 0.09 -0.03 0.01 -0.05 0.02 -0.00 0.11 0.08 -0.23 0.00 -0.14 0.24 0.08 -0.05 0.03 0.05 -0.03 -0.02 -0.08 -0.07 -0.01 0.00 0.01 0.01 -0.05 -0.01 -0.02 0.11 -0.14 0.16 -0.01 0.22 -0.17 0.07 0.07 -0.02 -0.05 -0.02 0.02 0.00 0.14 0.22 0.10 -0.06 -0.23 0.06 0.07 0.07 0.09 -0.09 0.01 0.09 0.09 0.02 0.04 0.00 0.05 -0.03 0.01 0.00 -0.04 -0.01 -0.00 -0.09 -0.00 0.01 0.00 0.00 -0.06 -0.12 0.18 -0.16 0.01 -0.00 0.00 0.01 0.00 -0.00 0.12 -0.18 0.16 -0.06 -0.02 -0.01 0.02 0.00 -0.01 -0.04 -0.02 0.01 -0.15 -0.01 0.02 -0.14 -0.01 0.01 -0.03 0.02 0.01 0.00 -0.02 -0.01 -0.00 0.02 -0.01 0.02 -0.02 0.01 0.01 0.03 0.01 0.02 0.00 -0.00 0.06 -0.02 -0.10 0.00 -0.01 -0.00 0.06 0.03 -0.08 0.03 -0.10 0.03 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.04 -0.00 0.06 0.00 0.19 0.09 -0.09 -0.12 -0.18 -0.02 0.18 0.11 0.05 -0.02 -0.06 -0.09 -0.05 0.24 -0.00 0.16 -0.19 -0.04 0.13 -0.18 -0.02 -0.00 -0.01 0.04 0.09 0.02 -0.00 -0.01 -0.00 0.04 0.00 0.04 -0.09 0.12 -0.17 0.01 -0.19 0.11 -0.03 -0.13 0.08 0.05 0.02 -0.05 -0.00 -0.16 -0.20 -0.10 0.06 0.25 -0.05 -0.11 -0.15 -0.11 0.14 -0.03 -0.09 -0.14 -0.03 -0.05 0.01 -0.07 0.08 0.00 -0.00 0.08 -0.00 -0.01 0.10 -0.00 -0.01 -0.01 -0.00 0.08 -0.12 0.18 -0.17 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.12 -0.18 0.17 -0.06 -0.01 -0.01 -0.00 -0.00 0.01 -0.13 -0.05 0.01 0.10 0.16 -0.04 0.10 -0.15 -0.04 -0.13 0.05 0.01 -0.03 -0.08 -0.00 -0.03 0.08 0.00 0.08 -0.09 -0.01 0.07 0.10 -0.01 0.06 -0.00 -0.00 0.30 -0.10 -0.02 0.05 -0.01 -0.00 0.30 0.10 -0.02 0.11 0.07 -0.04 -0.08 -0.05 0.01 -0.00 0.02 -0.00 0.02 -0.02 -0.07 0.01 0.07 0.17 -0.06 -0.05 0.02 -0.12 -0.23 -0.19 0.02 -0.02 0.10 -0.07 -0.08 0.11 -0.01 0.02 -0.12 -0.10 -0.09 0.21 -0.08 0.05 0.01 0.11 -0.08 -0.03 -0.00 -0.02 -0.00 0.02 0.03 -0.08 -0.06 0.07 0.00 0.01 -0.07 0.16 -0.13 0.22 -0.19 0.02 0.01 0.09 -0.00 -0.01 -0.14 -0.06 0.07 0.08 -0.10 0.10 0.23 0.03 -0.08 0.00 0.03 0.09 0.00 0.00 -0.00 0.06 -0.08 -0.02 0.02 -0.08 0.02 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.04 -0.05 0.07 -0.07 -0.02 0.01 0.00 -0.01 -0.00 0.00 0.05 -0.07 0.07 -0.03 -0.00 -0.00 -0.00 0.00 0.00 0.06 0.04 -0.00 -0.01 -0.06 0.02 0.02 -0.07 -0.02 -0.07 0.04 0.00 -0.00 -0.02 0.00 0.00 -0.02 -0.00 -0.05 -0.09 -0.00 0.06 -0.08 0.00 -0.15 0.11 0.01 0.08 -0.08 0.01 0.15 0.11 -0.01 -0.06 -0.08 -0.02 -0.04 0.03 0.08 0.07 0.05 -0.02 -0.00 -0.02 0.01 -0.05 -0.08 0.00 -0.05 -0.13 -0.30 0.02 -0.07 -0.21 0.11 0.23 0.15 -0.00 0.08 -0.04 0.05 0.05 -0.37 0.04 -0.09 -0.12 -0.03 -0.17 0.22 -0.07 0.05 0.02 0.04 0.02 -0.06 0.00 -0.02 -0.01 0.05 -0.05 -0.01 -0.03 -0.03 0.14 0.04 -0.13 0.26 -0.10 0.18 -0.13 0.01 0.07 0.03 -0.02 -0.08 0.07 -0.05 0.04 0.30 0.01 -0.12 -0.16 0.01 0.00 -0.01 -0.01 0.01 0.01 0.00 0.02 0.00 0.02 0.00 -0.00 -0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.00 -0.03 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 -0.00 0.00 0.01 -0.02 -0.00 -0.02 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.02 -0.00 0.01 -0.01 -0.00 -0.02 0.02 0.00 0.02 -0.02 0.00 0.03 0.02 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.04 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.02 -0.05 -0.00 -0.02 -0.04 -0.14 -0.01 -0.07 -0.15 0.04 0.13 0.08 0.01 0.05 -0.02 0.01 0.01 -0.18 0.02 -0.03 -0.12 -0.04 -0.10 0.14 -0.01 0.01 -0.01 0.01 -0.02 0.10 -0.00 -0.00 0.00 -0.03 0.11 0.00 -0.04 0.18 -0.37 -0.06 0.04 -0.28 0.09 -0.31 0.19 0.04 -0.10 -0.04 0.05 0.05 -0.34 -0.00 -0.00 -0.36 -0.10 0.21 0.32 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.05 0.02 -0.01 -0.02 -0.06 0.01 0.01 -0.05 -0.01 -0.04 0.02 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.03 -0.05 0.00 0.03 -0.05 0.00 -0.09 0.06 0.01 0.03 -0.05 -0.00 0.09 0.06 -0.01 -0.04 -0.05 -0.01 -0.03 -0.01 -0.10 0.04 0.03 0.01 0.00 -0.01 -0.00 0.02 0.12 0.00 0.05 0.01 0.24 0.05 0.21 0.39 -0.07 -0.31 -0.18 -0.05 -0.09 0.03 0.02 0.01 0.32 -0.05 0.02 0.39 0.12 0.21 -0.32 -0.04 0.03 0.00 0.02 0.00 0.03 0.00 -0.01 -0.00 0.00 0.04 0.00 -0.04 0.09 -0.14 -0.01 -0.04 -0.04 0.01 -0.10 0.05 0.02 -0.02 -0.01 0.01 -0.01 -0.16 -0.02 0.02 -0.06 -0.05 0.06 0.09 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 0.02 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.03 0.00 -0.27 0.30 -0.07 -0.01 -0.07 0.02 0.01 -0.06 -0.02 0.19 0.22 0.06 -0.02 -0.00 0.03 0.01 -0.01 -0.03 0.11 -0.05 -0.02 -0.09 -0.03 0.01 0.14 -0.04 -0.01 0.31 -0.05 0.06 -0.12 -0.04 0.01 -0.24 -0.04 -0.03 -0.02 0.03 -0.01 0.16 0.02 -0.01 0.04 -0.16 0.02 -0.05 0.02 -0.01 -0.01 -0.19 -0.14 0.10 0.15 0.16 0.07 -0.08 -0.02 -0.05 0.02 0.01 0.09 0.07 -0.20 -0.00 -0.13 0.22 0.07 -0.06 0.05 -0.12 0.02 0.00 0.01 0.03 0.01 -0.03 -0.11 -0.02 0.03 0.02 0.02 -0.06 0.09 -0.12 0.00 -0.12 0.06 -0.02 -0.09 0.04 0.05 0.02 -0.01 -0.00 -0.11 -0.18 -0.08 0.06 0.18 -0.06 -0.06 -0.05 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.03 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.02 0.01 0.00 0.02 0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.04 -0.00 -0.01 0.25 -0.27 0.05 0.03 0.03 -0.01 0.03 -0.05 -0.02 0.32 0.34 0.09 0.01 -0.02 -0.01 0.02 0.02 -0.04 -0.05 0.07 0.02 -0.08 -0.08 0.02 -0.05 0.01 0.00 -0.22 0.07 -0.07 -0.10 -0.02 0.00 -0.31 -0.08 -0.08 0.02 -0.00 0.00 -0.13 -0.02 0.01 -0.03 0.14 -0.02 0.04 -0.02 -0.00 0.01 0.15 0.13 -0.08 -0.10 -0.09 -0.07 0.02 -0.02 0.03 -0.01 0.01 -0.05 -0.04 0.07 0.00 0.06 -0.14 -0.05 0.00 0.02 -0.18 0.02 0.01 0.03 0.01 -0.00 -0.04 -0.18 -0.04 0.05 0.02 0.01 -0.09 0.12 -0.12 0.01 -0.18 0.14 -0.06 -0.05 0.01 0.05 0.02 0.01 0.00 -0.11 -0.23 -0.09 0.07 0.15 -0.08 -0.02 0.01 0.00 -0.02 -0.00 0.00 0.02 0.00 -0.01 0.01 0.04 -0.01 -0.00 0.00 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 0.00 -0.01 0.01 0.01 -0.00 -0.00 0.02 0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 0.04 -0.00 0.05 0.15 -0.02 0.05 -0.16 -0.02 -0.00 -0.05 -0.01 0.02 0.02 -0.00 0.02 -0.02 0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.06 0.01 0.00 -0.00 0.00 0.00 -0.05 -0.01 0.01 -0.01 -0.11 0.02 0.02 0.01 -0.02 -0.01 -0.01 0.00 0.01 -0.02 0.07 -0.01 0.05 -0.08 -0.02 -0.09 -0.18 0.06 0.25 0.19 -0.03 -0.04 -0.06 0.05 0.05 0.09 -0.01 -0.01 0.23 0.13 0.14 -0.29 0.02 -0.01 -0.01 -0.01 0.13 0.02 -0.01 0.01 0.00 0.00 0.02 0.09 -0.01 0.08 -0.19 -0.01 -0.03 -0.11 0.09 -0.29 0.22 -0.03 0.04 -0.07 -0.01 -0.00 0.23 0.05 -0.04 0.12 0.13 -0.16 -0.32 0.00 -0.04 -0.06 -0.00 0.04 -0.06 -0.09 -0.00 0.29 -0.03 -0.00 0.02 -0.04 0.00 0.02 0.05 0.00 -0.03 0.01 0.00 -0.11 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.00 -0.00 0.06 -0.01 0.03 0.17 -0.04 -0.04 0.16 0.04 0.00 0.06 0.01 0.02 0.02 0.01 -0.02 0.02 -0.01 0.01 -0.05 -0.00 -0.01 -0.05 0.00 -0.03 0.03 0.00 0.05 -0.05 0.01 0.03 0.03 -0.00 -0.06 -0.05 -0.01 -0.01 -0.13 0.03 0.03 0.01 -0.02 -0.01 -0.02 0.00 0.01 -0.02 0.08 -0.01 0.05 -0.09 -0.02 -0.09 -0.20 0.07 0.28 0.21 -0.03 -0.05 -0.07 0.05 0.04 0.13 -0.02 0.01 0.24 0.14 0.17 -0.34 -0.03 0.01 0.01 0.01 -0.12 -0.02 0.01 -0.01 -0.00 -0.00 -0.02 -0.08 0.01 -0.08 0.18 0.01 0.03 0.11 -0.09 0.28 -0.21 0.02 -0.05 0.07 0.01 0.02 -0.21 -0.04 0.04 -0.14 -0.12 0.17 0.33 -0.01 -0.00 0.01 0.01 -0.00 -0.02 -0.01 -0.09 0.02 -0.03 -0.01 0.00 0.03 -0.01 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.02 0.01 0.00 0.00 0.01 0.01 -0.00 -0.01 -0.05 0.00 0.00 0.01 0.10 -0.03 -0.01 0.02 0.38 0.35 -0.21 -0.26 -0.23 -0.21 -0.01 -0.08 -0.10 0.04 -0.00 0.19 0.15 -0.36 -0.00 -0.24 0.44 0.19 -0.06 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.02 -0.02 0.02 -0.00 0.03 -0.03 0.02 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.02 -0.03 -0.02 0.01 0.03 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.02 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.03 0.03 -0.02 -0.02 -0.02 -0.02 0.00 -0.00 -0.01 0.00 -0.00 0.02 0.01 -0.03 -0.00 -0.02 0.04 0.02 -0.00 -0.00 -0.00 0.01 -0.05 0.00 -0.01 0.01 -0.00 -0.01 0.01 0.10 0.03 -0.01 -0.22 0.27 -0.23 0.03 -0.39 0.34 -0.21 -0.01 -0.07 -0.10 -0.04 -0.00 -0.00 0.23 0.44 0.19 -0.15 -0.35 0.19 0.06 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.02 -0.00 -0.11 -0.17 0.07 -0.12 0.15 0.06 -0.01 0.01 -0.00 -0.02 -0.01 0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 0.05 -0.00 0.00 0.00 -0.00 -0.00 0.06 0.01 0.00 -0.01 0.09 -0.02 -0.00 -0.01 0.01 0.02 -0.01 0.00 0.03 0.02 -0.06 0.02 0.09 0.19 -0.05 -0.00 0.10 -0.12 -0.22 -0.19 0.02 0.05 0.05 -0.02 -0.02 -0.16 0.02 -0.03 -0.18 -0.10 -0.15 0.28 -0.00 0.01 0.00 -0.01 -0.08 -0.02 0.02 0.01 0.00 0.03 -0.01 -0.06 -0.05 0.00 0.08 0.02 -0.09 0.17 -0.11 0.19 -0.17 0.02 -0.04 0.05 0.01 0.01 -0.18 -0.03 0.03 -0.12 -0.09 0.12 0.25 -0.01 0.04 -0.10 -0.01 -0.04 -0.10 -0.12 0.00 0.44 0.09 0.06 -0.00 0.09 -0.06 -0.00 0.05 -0.00 -0.04 0.01 0.00 -0.17 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.21 0.05 -0.01 -0.22 0.04 0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 0.07 -0.04 -0.02 -0.02 -0.02 0.01 -0.02 0.02 -0.01 -0.05 0.02 0.02 -0.01 -0.17 -0.15 0.11 0.12 0.08 0.12 0.03 0.06 -0.04 0.01 0.00 0.08 0.06 -0.12 -0.00 -0.11 0.15 0.08 -0.03 0.01 0.02 -0.01 -0.01 -0.07 -0.04 0.02 0.02 0.03 0.01 0.05 0.02 -0.01 -0.11 0.13 -0.10 0.01 -0.18 0.15 -0.12 0.01 -0.05 0.04 0.02 -0.00 -0.00 -0.11 -0.16 -0.08 0.06 0.14 -0.08 -0.04 -0.01 0.01 -0.11 -0.04 -0.00 -0.11 0.04 0.04 0.64 0.01 -0.13 -0.13 0.06 0.13 -0.13 -0.06 -0.02 -0.06 0.00 -0.00 -0.05 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.02 0.00 0.00 -0.03 -0.04 0.00 -0.03 0.04 0.00 0.03 0.05 -0.00 0.03 -0.04 -0.00 -0.13 0.09 0.01 0.67 0.06 -0.02 -0.13 -0.09 0.01 0.68 -0.05 -0.02 0.01 -0.00 0.00 0.03 0.02 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.04 -0.05 0.02 0.02 0.00 0.02 0.01 0.02 -0.01 -0.00 -0.00 0.02 0.01 -0.00 -0.00 -0.01 0.05 0.02 0.01 -0.02 0.02 -0.02 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.02 -0.02 0.00 -0.01 0.03 -0.04 0.02 -0.01 0.02 -0.01 0.00 -0.00 -0.00 0.01 0.04 0.01 -0.01 -0.01 0.02 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.01 -0.00 0.02 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.05 0.06 -0.01 0.02 0.01 0.00 -0.03 0.01 0.00 0.05 0.06 0.02 0.14 0.19 -0.01 -0.13 0.19 0.01 0.07 -0.18 -0.01 -0.07 -0.19 0.00 -0.07 0.10 0.01 -0.00 -0.19 -0.00 0.05 0.09 -0.00 0.05 -0.20 -0.00 -0.07 -0.01 -0.02 -0.15 -0.16 0.03 0.04 -0.01 0.00 0.07 0.02 -0.02 0.03 0.19 0.25 -0.08 -0.06 0.03 -0.12 -0.06 -0.09 0.06 0.03 0.03 -0.07 -0.07 -0.04 0.03 0.05 -0.30 -0.12 -0.06 0.16 0.15 -0.15 -0.03 0.07 -0.01 0.00 -0.04 -0.01 -0.00 -0.06 0.02 0.02 0.08 -0.05 -0.05 -0.04 0.18 -0.25 0.12 -0.08 0.10 -0.06 0.03 -0.02 -0.02 0.06 0.30 0.08 -0.07 0.02 0.12 -0.04 -0.14 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.01 0.02 0.00 -0.01 -0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.06 -0.01 -0.11 0.05 -0.00 -0.10 -0.06 -0.01 0.01 -0.06 -0.01 0.03 0.02 -0.00 0.03 -0.03 -0.00 0.01 0.03 -0.00 0.01 -0.03 -0.00 -0.05 0.01 0.00 0.06 0.04 0.00 -0.05 -0.01 0.00 0.06 -0.03 0.00 -0.11 0.08 -0.03 -0.03 -0.05 0.01 0.04 -0.03 0.00 0.06 -0.05 0.03 -0.00 0.22 0.06 -0.11 -0.19 -0.22 -0.10 0.16 0.07 0.05 -0.05 0.00 -0.10 -0.09 0.26 -0.01 0.16 -0.13 -0.10 0.09 -0.09 -0.04 0.05 0.01 -0.10 -0.08 -0.00 0.03 0.03 0.01 0.05 0.05 0.02 -0.11 0.18 -0.19 0.00 -0.20 0.07 -0.10 -0.12 0.04 0.05 0.05 -0.01 -0.01 -0.16 -0.12 -0.09 0.08 0.25 -0.09 -0.10 -0.11 0.02 -0.03 -0.01 0.03 0.04 -0.01 0.43 -0.03 0.08 0.03 0.03 -0.00 0.02 -0.02 -0.00 -0.18 0.00 0.01 -0.02 0.00 -0.04 0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.05 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 0.05 0.42 -0.00 -0.02 -0.08 -0.00 0.00 0.01 -0.01 -0.00 -0.17 0.03 -0.16 0.18 -0.07 0.02 0.24 -0.14 -0.47 -0.37 0.02 -0.02 -0.14 0.06 0.07 0.12 -0.01 0.17 0.01 0.09 0.20 -0.38 0.00 -0.00 -0.01 -0.00 -0.02 0.05 0.00 0.00 0.00 -0.00 0.01 -0.02 -0.01 0.01 0.01 -0.00 0.01 0.01 -0.02 0.04 -0.03 0.00 0.01 -0.02 -0.00 -0.03 0.01 0.01 -0.01 0.04 0.01 -0.04 -0.07 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.02 0.01 0.02 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.05 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.01 -0.05 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.00 0.02 -0.02 0.01 -0.00 -0.03 0.02 0.06 0.05 -0.00 0.00 0.02 -0.01 -0.01 -0.01 0.00 -0.02 -0.00 -0.01 -0.02 0.04 -0.00 0.02 -0.08 0.01 -0.07 0.43 -0.00 -0.01 0.01 -0.02 0.01 -0.16 -0.06 -0.02 0.21 0.02 0.16 0.14 -0.13 0.43 -0.34 0.02 0.04 -0.15 -0.01 -0.18 0.04 0.07 -0.07 0.15 0.10 -0.23 -0.44 0.00 0.00 0.00 0.01 0.00 0.00 -0.02 -0.02 0.01 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.02 -0.12 0.01 -0.08 -0.01 0.01 -0.08 0.01 0.00 0.02 0.12 0.02 -0.15 -0.09 0.01 -0.15 0.09 0.01 -0.02 -0.08 0.00 -0.02 0.07 0.00 0.13 -0.05 -0.01 0.08 -0.09 -0.01 0.13 0.05 -0.01 0.08 0.08 -0.01 0.13 0.05 -0.00 0.11 0.12 -0.01 -0.04 0.03 -0.01 -0.07 -0.03 0.02 -0.04 -0.18 -0.27 0.10 0.06 -0.07 0.14 0.07 0.10 -0.07 -0.03 -0.01 0.09 0.08 0.05 -0.03 -0.06 0.30 0.13 0.04 -0.14 0.12 -0.12 -0.02 0.15 -0.03 0.01 -0.05 -0.03 -0.01 -0.08 0.02 0.02 0.11 -0.08 -0.04 -0.04 0.21 -0.26 0.15 -0.05 0.09 -0.07 0.03 -0.01 -0.03 0.08 0.32 0.10 -0.09 0.01 0.14 -0.02 -0.13 -0.03 0.01 -0.01 -0.03 -0.01 -0.01 0.19 -0.01 0.05 0.03 0.01 -0.00 0.03 -0.01 -0.00 -0.07 0.00 0.00 -0.01 0.00 -0.02 0.00 -0.01 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 0.02 -0.03 0.00 -0.02 -0.04 -0.01 -0.00 0.02 0.00 -0.01 -0.00 0.00 0.02 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.08 0.01 -0.00 -0.01 -0.01 0.00 -0.09 0.00 0.00 -0.08 0.18 -0.01 -0.01 -0.02 -0.00 0.02 -0.02 0.00 0.03 -0.07 0.02 -0.02 0.13 -0.08 -0.07 -0.17 -0.23 -0.07 0.17 0.08 0.03 -0.08 -0.01 -0.04 -0.05 0.30 -0.04 0.17 0.04 -0.05 0.15 -0.21 0.00 -0.01 0.00 0.08 0.22 0.04 -0.03 -0.02 -0.00 -0.02 -0.08 -0.04 0.07 -0.19 0.29 0.04 0.15 0.13 0.06 0.23 -0.13 -0.02 -0.09 0.01 0.04 0.19 -0.07 0.05 -0.05 -0.35 0.06 0.17 0.23 0.03 -0.04 0.00 -0.03 -0.04 -0.01 0.01 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.05 -0.07 0.01 0.04 0.06 0.01 0.00 0.00 0.00 -0.03 -0.01 0.00 -0.03 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.02 -0.01 -0.00 0.04 -0.01 0.00 0.02 0.01 -0.00 0.02 0.01 0.00 -0.05 0.24 -0.02 0.00 -0.01 -0.00 0.02 -0.01 0.00 0.01 -0.09 0.03 -0.04 0.10 -0.17 -0.04 -0.17 -0.28 -0.05 0.21 0.12 0.01 -0.10 -0.02 -0.02 -0.03 0.34 -0.05 0.18 0.13 -0.03 0.18 -0.27 0.00 0.00 -0.00 -0.03 -0.20 -0.03 0.01 0.01 0.00 0.00 0.07 0.03 -0.03 0.13 -0.24 -0.04 -0.09 -0.15 -0.02 -0.20 0.12 0.00 0.08 -0.01 -0.04 -0.14 0.12 -0.01 0.02 0.27 -0.02 -0.14 -0.20 0.03 -0.03 0.02 0.02 0.02 0.02 -0.16 0.01 -0.04 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.05 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 0.02 -0.00 0.01 0.01 -0.00 -0.01 0.01 0.00 -0.04 0.02 0.00 -0.04 0.02 0.00 0.04 0.03 -0.00 -0.01 0.03 -0.00 0.01 0.03 0.00 -0.04 -0.07 0.00 0.68 0.05 -0.02 0.04 -0.07 -0.00 -0.68 0.04 0.02 -0.04 -0.03 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.02 0.01 -0.00 0.01 0.03 0.07 -0.03 -0.01 0.03 -0.03 -0.02 -0.03 0.02 0.01 0.00 -0.03 -0.02 -0.02 0.01 0.00 -0.07 -0.03 -0.01 0.04 0.00 -0.01 -0.00 0.04 -0.03 -0.01 0.00 0.00 0.00 -0.02 0.01 0.01 0.03 -0.01 -0.03 -0.01 0.03 -0.06 0.03 -0.02 0.03 -0.02 0.01 -0.00 -0.01 0.00 0.07 0.03 -0.02 0.02 0.03 -0.01 -0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.05 -0.08 0.01 -0.04 -0.04 0.01 0.03 -0.03 -0.01 0.05 -0.08 -0.01 0.03 0.13 -0.00 -0.02 0.12 0.00 0.03 -0.05 -0.00 -0.02 -0.06 0.00 -0.03 -0.01 0.00 0.37 -0.05 -0.02 0.02 -0.01 -0.00 -0.39 -0.06 0.02 0.20 0.09 -0.00 -0.05 -0.04 0.01 -0.02 0.04 -0.01 -0.07 -0.03 0.01 -0.05 -0.15 -0.21 0.14 0.09 -0.06 0.15 0.03 0.08 -0.07 -0.03 -0.01 0.14 0.11 0.01 -0.04 -0.05 0.25 0.16 0.02 -0.12 0.05 -0.04 -0.01 -0.19 0.08 0.01 0.02 0.04 0.01 0.07 -0.02 -0.01 -0.14 0.08 0.05 0.05 -0.13 0.20 -0.15 0.04 -0.08 0.07 -0.03 0.00 0.03 -0.04 -0.24 -0.13 0.10 -0.01 -0.15 0.01 0.10 -0.04 0.03 -0.00 0.03 0.03 0.00 0.00 -0.05 0.00 0.02 0.01 -0.01 -0.02 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.11 -0.04 0.01 -0.04 -0.02 0.01 -0.04 0.03 0.01 -0.11 0.04 0.01 0.18 0.07 -0.02 0.18 -0.08 -0.01 0.06 0.06 -0.00 0.07 -0.05 -0.00 -0.12 0.07 0.01 -0.33 0.06 0.01 -0.12 -0.07 0.01 -0.32 -0.06 0.01 0.20 0.08 -0.01 -0.09 -0.06 0.01 0.00 0.01 -0.00 -0.06 -0.02 0.01 -0.04 -0.12 -0.17 0.14 0.09 -0.05 0.15 0.03 0.07 -0.06 -0.02 -0.00 0.14 0.11 0.00 -0.04 -0.04 0.20 0.16 0.01 -0.09 -0.10 0.07 0.01 0.22 -0.08 -0.02 0.00 -0.02 -0.00 -0.07 0.02 0.01 0.16 -0.10 -0.05 -0.05 0.12 -0.18 0.17 -0.04 0.09 -0.07 0.02 0.00 -0.04 0.05 0.23 0.15 -0.11 0.00 0.16 0.00 -0.10 -0.04 0.02 -0.01 -0.04 -0.02 -0.01 0.04 0.00 0.02 0.02 0.01 -0.00 0.02 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.02 0.02 -0.01 -0.00 0.00 -0.00 0.14 0.21 -0.03 0.16 -0.08 0.01 -0.20 -0.09 -0.01 -0.10 0.16 0.03 -0.00 -0.14 0.00 -0.01 -0.12 -0.00 -0.02 0.09 0.00 -0.01 0.09 0.00 -0.04 -0.03 0.00 -0.16 0.10 0.01 0.06 -0.04 -0.00 0.20 0.10 -0.01 0.09 0.05 -0.00 -0.15 -0.19 0.02 0.02 -0.00 0.00 -0.03 -0.03 -0.02 -0.05 0.08 0.04 0.17 0.12 0.09 0.12 0.11 0.08 -0.03 -0.02 0.03 0.19 0.09 -0.16 -0.06 0.07 -0.10 0.13 0.10 -0.15 0.11 -0.13 -0.03 -0.05 0.05 0.01 -0.02 -0.01 -0.00 0.02 -0.03 0.02 -0.13 0.09 -0.09 0.04 0.09 -0.05 -0.08 0.12 -0.07 0.02 -0.02 -0.03 0.04 0.07 0.08 -0.13 0.06 0.12 -0.08 0.08 0.12 -0.18 0.19 -0.03 0.21 0.21 0.05 -0.01 -0.15 -0.01 -0.03 -0.06 0.01 0.03 -0.06 -0.02 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.06 -0.01 0.01 0.01 -0.00 0.00 0.03 0.01 0.00 -0.07 0.02 0.01 0.19 -0.28 -0.01 0.19 0.28 -0.01 -0.28 -0.02 0.02 -0.27 0.02 0.02 0.14 0.42 -0.00 -0.28 -0.02 0.01 0.14 -0.42 -0.01 -0.27 0.02 0.02 -0.04 0.00 -0.00 0.03 0.06 -0.01 0.01 -0.02 0.01 0.01 0.00 0.00 0.01 0.01 -0.00 -0.04 -0.04 -0.01 -0.05 0.00 -0.01 0.01 0.00 -0.01 -0.06 -0.04 0.04 0.01 0.00 0.01 -0.06 -0.01 0.03 0.04 -0.07 -0.02 -0.05 -0.00 -0.00 0.01 0.02 0.01 0.02 -0.00 0.00 -0.05 0.04 -0.02 0.01 -0.02 -0.00 -0.06 0.00 -0.02 0.02 -0.00 -0.01 0.01 -0.01 0.01 -0.06 0.04 0.04 -0.07 0.00 0.03 -0.01 -0.01 0.00 -0.03 -0.00 -0.00 0.02 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.04 0.05 -0.03 0.01 0.00 0.00 -0.15 -0.18 0.03 0.05 -0.01 0.00 0.01 -0.01 -0.00 -0.17 0.21 0.04 0.07 0.07 -0.01 0.06 -0.10 -0.01 0.13 0.02 -0.01 0.13 0.01 -0.00 -0.10 0.01 0.01 -0.23 0.02 0.00 -0.08 -0.02 0.01 -0.21 0.01 -0.00 -0.12 -0.01 -0.00 0.15 0.18 -0.03 -0.02 -0.01 0.00 0.04 0.02 0.02 0.04 -0.05 -0.06 -0.18 -0.13 -0.07 -0.16 -0.07 -0.07 0.04 0.01 -0.03 -0.18 -0.10 0.13 0.05 -0.02 0.08 -0.17 -0.05 0.11 0.17 -0.20 -0.04 -0.13 0.02 0.01 -0.03 0.00 0.00 0.05 -0.03 0.03 -0.21 0.15 -0.11 0.05 0.07 -0.08 -0.19 0.11 -0.09 0.05 -0.02 -0.03 0.06 0.04 0.10 -0.21 0.11 0.17 -0.18 0.07 0.13 -0.02 0.00 0.00 0.02 0.04 0.01 0.00 -0.02 -0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.05 0.06 -0.05 -0.00 -0.01 0.00 0.07 0.15 -0.02 -0.19 0.06 -0.00 0.23 0.08 0.01 -0.07 0.16 0.03 0.07 -0.10 -0.00 -0.08 -0.11 0.00 0.03 0.10 -0.00 -0.01 0.10 0.00 -0.11 -0.07 0.01 -0.11 0.12 0.01 0.10 -0.04 -0.01 0.13 0.12 -0.01 0.10 -0.01 0.00 -0.13 -0.12 0.01 0.03 -0.02 0.00 -0.04 -0.03 -0.02 -0.05 0.08 0.09 0.17 0.12 0.08 0.16 0.09 0.08 -0.03 -0.01 0.02 0.13 0.08 -0.09 -0.03 0.00 -0.07 0.14 0.03 -0.08 0.13 -0.12 -0.02 -0.11 -0.02 0.00 -0.03 -0.02 -0.00 0.04 -0.03 0.02 -0.18 0.13 -0.09 0.05 0.08 -0.11 -0.18 0.10 -0.08 0.03 -0.01 -0.02 0.04 -0.00 0.07 -0.13 0.08 0.08 -0.15 0.02 0.07 0.12 -0.16 0.03 -0.17 -0.20 -0.06 0.02 0.11 0.01 0.05 0.07 -0.02 -0.05 0.08 0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.18 -0.18 0.21 0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 -0.00 0.00 -0.02 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.02 -0.01 0.00 -0.01 0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.02 -0.01 0.02 0.01 -0.01 0.02 -0.01 -0.01 0.02 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 0.00 0.02 -0.02 -0.00 0.02 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 0.05 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.05 -0.01 -0.03 0.53 -0.56 0.63 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.02 0.01 0.01 0.02 0.01 0.02 0.01 0.00 0.00 -0.01 -0.01 -0.00 0.03 0.01 -0.01 0.02 -0.01 -0.02 0.02 -0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.02 0.06 -0.06 0.19 -0.14 0.29 -0.06 -0.24 0.25 0.12 -0.29 0.12 0.02 -0.04 -0.09 0.10 0.17 0.39 -0.24 0.04 0.41 -0.13 0.28 0.29 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.03 0.03 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.02 -0.06 -0.06 -0.07 0.24 0.24 0.19 0.14 0.28 0.11 0.28 0.12 0.02 0.04 -0.09 -0.25 -0.05 0.41 0.10 -0.17 0.40 -0.12 -0.29 0.29 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 0.00 0.02 -0.02 -0.01 0.02 -0.01 -0.00 0.00 0.01 -0.01 -0.01 -0.02 0.02 -0.00 -0.03 0.01 -0.02 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.02 -0.02 -0.00 0.00 0.00 0.02 -0.02 0.00 -0.00 0.00 -0.00 0.02 0.01 0.00 -0.03 -0.01 -0.00 -0.08 0.03 0.00 0.08 0.03 -0.00 -0.02 -0.05 0.00 0.03 -0.05 -0.00 0.07 0.04 -0.00 0.03 -0.06 -0.00 -0.08 0.03 0.00 -0.04 -0.06 0.00 -0.01 -0.01 0.00 0.01 0.02 -0.00 0.00 -0.00 0.00 -0.02 -0.06 -0.06 -0.07 0.26 0.24 0.20 0.14 0.28 0.10 0.30 0.12 -0.01 -0.03 0.05 0.15 0.03 -0.23 -0.06 0.12 -0.23 0.06 0.17 -0.17 -0.01 0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.02 -0.04 0.04 -0.15 0.11 -0.21 0.05 0.19 -0.18 -0.09 0.22 -0.09 0.01 -0.02 -0.04 0.05 0.10 0.18 -0.12 0.02 0.19 -0.05 0.13 0.13 0.01 0.00 -0.00 -0.02 -0.01 -0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.02 -0.00 -0.03 0.01 -0.00 -0.02 -0.00 -0.00 0.02 -0.03 -0.01 -0.01 -0.00 0.00 0.01 0.01 -0.00 -0.02 -0.01 0.00 -0.01 -0.01 0.00 0.02 -0.00 -0.00 0.03 -0.01 -0.00 -0.00 0.01 0.00 0.03 -0.01 0.00 0.02 -0.00 -0.00 -0.02 -0.04 0.01 -0.00 0.01 -0.00 0.01 0.05 0.04 0.06 -0.22 -0.19 -0.15 -0.11 -0.23 -0.06 -0.25 -0.09 0.01 0.02 -0.04 -0.12 -0.02 0.19 0.05 -0.11 0.18 -0.03 -0.14 0.14 -0.02 0.04 0.01 0.02 -0.00 -0.00 -0.00 -0.01 -0.00 0.02 -0.06 0.05 -0.18 0.13 -0.28 0.06 0.25 -0.23 -0.09 0.30 -0.12 0.01 -0.03 -0.06 0.07 0.14 0.23 -0.15 0.02 0.24 -0.04 0.18 0.17 0.02 -0.03 0.01 0.01 0.02 0.01 -0.02 0.00 -0.01 0.01 0.02 -0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.02 -0.02 0.00 0.00 -0.00 -0.13 -0.08 0.01 0.02 -0.00 -0.00 -0.05 -0.01 -0.00 0.14 -0.08 -0.02 0.21 -0.02 -0.01 -0.20 -0.01 0.01 0.05 0.10 -0.00 -0.07 0.10 0.00 -0.17 -0.07 0.01 -0.00 0.12 -0.00 0.18 -0.08 -0.01 0.01 0.12 0.00 -0.04 -0.00 0.00 0.05 0.11 -0.02 0.01 -0.02 0.00 -0.01 -0.05 -0.04 -0.05 0.21 0.16 0.12 0.09 0.23 0.03 0.24 0.08 -0.00 -0.02 0.04 0.10 0.00 -0.19 -0.05 0.12 -0.17 -0.01 0.15 -0.13 -0.05 0.12 0.02 0.04 0.00 -0.00 -0.01 -0.02 -0.01 0.00 -0.05 0.04 -0.11 0.08 -0.23 0.05 0.20 -0.16 -0.02 0.24 -0.08 -0.00 -0.02 -0.04 0.05 0.13 0.17 -0.09 -0.01 0.19 0.01 0.15 0.13 0.01 0.02 -0.00 0.02 0.05 0.02 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.02 -0.02 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 0.02 -0.00 0.32 -0.11 0.01 0.26 0.09 0.01 0.04 -0.04 -0.01 0.02 0.02 -0.00 -0.02 -0.02 0.00 -0.02 0.00 0.00 -0.03 0.01 0.00 -0.00 -0.03 -0.00 0.09 0.01 -0.00 0.03 0.02 -0.00 0.09 0.01 -0.00 -0.03 0.04 -0.00 -0.01 -0.03 0.00 -0.01 0.01 -0.00 0.02 0.03 0.03 0.04 -0.10 -0.14 -0.11 -0.08 -0.10 -0.12 -0.11 -0.07 0.02 0.01 -0.03 -0.10 -0.04 0.12 0.04 -0.03 0.15 -0.11 -0.07 0.09 -0.03 0.05 0.01 -0.01 -0.04 -0.00 -0.00 -0.01 -0.00 0.01 -0.03 0.03 -0.10 0.07 -0.11 0.03 0.11 -0.14 -0.09 0.12 -0.06 0.01 -0.01 -0.03 0.04 0.04 0.14 -0.09 0.02 0.13 -0.07 0.08 0.09 -0.29 0.33 -0.10 -0.26 -0.26 -0.10 0.20 -0.02 0.10 -0.07 -0.14 0.05 -0.05 0.11 0.04 -0.04 0.00 0.00 -0.01 0.00 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.02 0.01 0.00 -0.00 -0.00 0.04 0.06 -0.01 0.01 -0.00 -0.00 0.01 0.00 0.00 0.04 -0.06 -0.01 -0.13 -0.16 0.01 -0.14 0.16 0.01 0.20 0.01 -0.01 0.20 -0.01 -0.01 -0.08 0.09 0.00 -0.63 -0.00 0.03 -0.07 -0.09 0.00 -0.62 -0.00 0.03 -0.00 -0.00 0.00 0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.01 0.01 0.01 0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 0.01 -0.00 0.01 0.01 -0.00 0.02 -0.01 -0.00 -0.02 -0.01 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 0.00 -0.01 0.05 -0.14 -0.12 -0.22 -0.09 0.28 -0.25 0.23 0.01 -0.04 -0.01 -0.02 0.32 0.30 0.29 -0.08 0.16 -0.20 0.31 -0.29 0.17 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.09 -0.04 -0.12 -0.02 -0.05 0.06 0.12 0.10 -0.00 0.02 -0.00 0.01 0.03 0.06 0.09 -0.14 0.12 -0.13 -0.14 -0.13 -0.07 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.02 -0.06 -0.05 -0.10 -0.04 0.12 -0.11 0.10 0.01 -0.02 -0.00 -0.01 0.14 0.13 0.12 -0.04 0.07 -0.08 0.13 -0.12 0.07 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.03 -0.00 -0.01 -0.22 0.09 0.29 0.04 0.13 -0.14 -0.28 -0.23 0.01 -0.04 0.01 -0.02 -0.08 -0.14 -0.20 0.32 -0.28 0.29 0.31 0.29 0.16 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.02 0.02 -0.01 0.04 -0.17 0.35 -0.07 -0.06 -0.21 0.40 -0.07 0.07 0.01 -0.03 -0.02 0.29 0.17 -0.03 -0.10 0.44 0.15 -0.26 -0.12 0.17 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.03 -0.02 0.11 -0.02 -0.07 -0.16 -0.19 -0.04 -0.03 -0.00 -0.01 0.01 0.04 0.20 -0.05 -0.14 0.08 -0.00 0.09 -0.07 -0.08 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.02 0.10 -0.16 0.06 0.04 0.07 -0.18 0.01 -0.04 -0.00 0.01 0.01 -0.12 -0.07 0.03 0.04 -0.20 -0.08 0.13 0.05 -0.07 -0.00 0.01 0.00 0.02 -0.00 0.01 -0.00 -0.00 -0.00 0.02 0.02 0.01 0.10 -0.07 0.20 -0.05 -0.20 -0.36 -0.41 -0.06 -0.07 -0.00 -0.03 0.02 0.09 0.43 -0.13 -0.29 0.17 0.01 0.22 -0.13 -0.18 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.03 -0.02 0.01 0.00 0.02 -0.00 0.00 -0.01 0.00 -0.02 -0.01 0.04 -0.10 0.40 -0.12 0.41 0.19 -0.28 0.01 -0.34 -0.10 -0.02 -0.00 -0.01 0.16 0.15 0.17 -0.04 0.07 -0.13 0.18 -0.17 0.10 -0.00 0.01 0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.02 -0.22 0.10 0.14 0.06 0.22 0.07 0.01 -0.18 0.05 0.01 0.00 0.01 0.01 0.01 0.08 -0.07 0.07 -0.10 -0.11 -0.08 -0.04 0.01 0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.01 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.02 -0.05 0.21 -0.05 0.21 0.10 -0.15 0.02 -0.18 -0.05 -0.01 -0.00 -0.01 0.10 0.09 0.09 -0.03 0.07 -0.06 0.08 -0.10 0.06 0.01 -0.02 -0.00 -0.03 0.01 0.01 0.00 0.01 0.00 -0.02 0.01 0.03 0.41 -0.19 -0.28 -0.10 -0.40 -0.10 0.02 0.34 -0.10 -0.02 0.00 -0.01 -0.04 -0.08 -0.14 0.17 -0.16 0.18 0.18 0.18 0.10 0.01 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.05 -0.11 0.03 0.02 0.05 -0.12 0.00 -0.02 0.01 -0.01 -0.00 0.04 0.01 -0.06 -0.02 0.11 0.09 -0.13 0.01 0.03 0.00 -0.02 -0.00 -0.03 -0.03 -0.00 0.01 0.01 0.00 -0.02 -0.01 -0.02 -0.11 0.08 -0.17 0.04 0.18 0.35 0.39 0.02 0.08 -0.02 -0.03 0.02 0.05 0.40 -0.31 -0.14 0.02 0.23 0.47 0.03 -0.11 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 0.03 -0.00 0.00 0.02 -0.00 0.01 -0.01 0.00 -0.02 0.01 -0.02 0.04 -0.17 0.37 -0.09 -0.07 -0.20 0.42 -0.03 0.08 -0.02 0.02 0.01 -0.12 -0.01 0.23 0.05 -0.36 -0.30 0.46 -0.03 -0.09 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.03 0.02 -0.06 0.01 0.05 0.10 0.11 0.01 0.02 -0.01 -0.01 0.00 0.01 0.11 -0.09 -0.03 0.00 0.07 0.14 0.01 -0.03 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.07 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.07 -0.00 -0.00 0.20 -0.42 -0.01 0.19 0.42 -0.01 -0.05 0.22 0.01 -0.05 -0.23 0.00 -0.10 -0.38 0.00 0.04 0.26 0.01 -0.10 0.38 0.01 0.04 -0.26 0.00 -0.01 0.00 -0.00 0.01 0.06 -0.01 0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 0.00 -0.02 -0.01 0.02 0.00 -0.01 0.01 -0.05 -0.01 -0.01 -0.00 -0.00 0.01 0.02 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 0.00 0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 -0.01 0.01 0.01 0.01 -0.00 -0.01 0.02 0.02 -0.01 0.03 -0.03 -0.01 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.02 0.02 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.02 0.01 0.00 -0.00 -0.01 0.00 -0.22 0.06 0.01 0.22 0.06 -0.01 0.34 0.01 -0.02 -0.33 0.00 0.02 -0.18 -0.07 0.01 -0.42 -0.01 0.02 0.17 -0.06 -0.01 0.42 -0.01 -0.02 -0.03 0.01 -0.00 0.19 -0.15 0.03 -0.11 0.11 -0.02 0.00 -0.01 -0.00 -0.01 0.05 0.06 0.02 0.00 -0.02 0.04 0.00 0.01 -0.00 -0.00 0.01 0.03 0.01 0.01 -0.01 0.02 -0.07 0.04 0.00 -0.01 -0.22 -0.19 -0.04 0.04 0.01 0.00 0.12 0.13 0.03 -0.00 -0.01 0.01 -0.02 0.00 0.02 0.01 0.05 -0.06 -0.04 0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.02 0.08 -0.03 0.01 -0.01 -0.04 0.00 0.01 0.01 -0.00 0.00 -0.03 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.02 -0.03 0.00 0.09 -0.00 -0.01 -0.16 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.03 0.00 0.04 -0.01 -0.00 0.02 -0.01 -0.00 -0.04 0.00 0.00 -0.01 0.01 0.00 -0.04 -0.01 0.00 0.02 -0.02 -0.00 0.03 0.00 0.00 -0.04 -0.01 0.01 0.11 -0.06 0.01 -0.06 0.05 -0.01 -0.00 -0.00 -0.00 -0.02 0.09 0.05 0.07 0.04 -0.01 0.03 -0.02 -0.01 -0.00 -0.00 0.00 0.08 0.05 0.00 -0.03 0.07 -0.09 0.03 -0.02 0.01 0.06 0.11 0.02 0.03 -0.04 -0.02 -0.04 -0.05 -0.01 0.00 0.00 0.00 -0.11 0.07 -0.00 0.03 0.12 -0.02 -0.01 -0.06 0.02 0.00 -0.00 0.00 0.04 0.11 0.07 -0.12 0.08 0.02 -0.01 -0.05 -0.04 -0.27 -0.20 0.07 0.54 -0.41 -0.15 -0.01 0.05 0.00 0.12 0.13 -0.04 -0.25 0.27 0.10 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.03 -0.01 -0.00 -0.17 0.01 0.01 -0.05 -0.00 0.00 -0.05 0.02 -0.00 0.02 0.02 0.00 0.07 -0.01 -0.00 0.00 -0.00 -0.00 -0.05 -0.00 0.00 -0.01 0.02 0.00 -0.06 -0.00 0.01 0.02 -0.03 -0.00 0.01 -0.00 0.01 -0.00 0.05 -0.02 0.23 -0.25 0.05 -0.14 0.16 -0.03 0.00 -0.01 -0.00 0.02 -0.05 0.04 -0.08 -0.06 -0.02 0.03 0.06 0.03 0.00 -0.00 0.01 -0.09 -0.06 0.03 0.03 -0.09 -0.00 0.02 0.05 -0.05 0.25 0.23 0.05 -0.03 -0.03 -0.01 -0.14 -0.15 -0.03 0.00 0.01 -0.01 -0.00 0.02 -0.02 -0.00 -0.02 0.06 0.04 -0.02 0.01 0.00 0.01 0.01 -0.01 0.00 -0.07 0.00 0.01 0.02 0.04 -0.02 -0.02 0.50 0.36 -0.13 0.15 -0.11 -0.04 -0.02 -0.02 0.01 -0.22 -0.24 0.08 -0.07 0.07 0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.01 -0.00 0.05 -0.02 0.00 0.04 -0.00 -0.00 0.00 -0.01 -0.00 -0.06 -0.03 -0.01 -0.24 0.06 0.01 0.26 0.07 -0.01 0.25 -0.01 -0.01 -0.26 -0.02 0.01 -0.11 -0.05 0.01 -0.23 -0.02 0.00 0.11 -0.04 -0.01 0.22 -0.03 0.00 0.04 -0.02 0.01 -0.25 0.26 -0.05 0.14 -0.16 0.03 -0.00 0.01 0.01 0.01 -0.04 -0.07 -0.01 0.01 0.02 -0.04 -0.02 -0.01 -0.00 0.01 -0.01 -0.02 0.00 -0.01 0.01 -0.01 0.08 -0.04 -0.02 0.02 0.34 0.34 0.08 -0.05 -0.02 -0.01 -0.19 -0.22 -0.05 0.00 0.01 -0.01 0.05 -0.01 -0.01 -0.02 -0.09 0.10 0.05 -0.01 0.01 0.00 0.01 0.01 -0.02 -0.05 -0.13 0.05 -0.02 0.00 0.05 -0.01 -0.02 -0.07 -0.04 0.01 -0.06 0.06 0.02 0.00 -0.00 -0.00 0.03 0.03 -0.01 0.03 -0.04 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.05 0.02 -0.01 0.08 0.01 -0.01 0.07 -0.01 -0.00 -0.03 -0.02 -0.00 0.09 -0.04 -0.00 -0.00 0.02 0.00 -0.05 0.02 0.00 0.03 -0.02 -0.00 0.01 -0.02 -0.00 -0.01 0.03 0.01 -0.02 0.04 0.00 -0.08 -0.02 0.01 -0.07 0.01 0.00 0.35 -0.35 0.06 -0.21 0.23 -0.04 0.00 -0.01 -0.01 -0.03 0.13 0.12 0.09 0.04 0.00 0.06 0.00 0.00 0.00 -0.01 0.02 0.10 0.05 -0.02 -0.04 0.09 -0.17 0.06 0.00 -0.01 0.23 0.23 0.05 -0.04 0.00 0.00 -0.13 -0.15 -0.03 -0.00 0.01 -0.01 0.08 -0.04 0.01 -0.02 -0.10 0.08 0.04 0.00 -0.00 0.00 0.00 0.01 -0.03 -0.07 -0.11 0.08 -0.03 -0.02 0.04 0.00 -0.00 -0.29 -0.21 0.07 -0.25 0.19 0.07 0.01 0.00 -0.01 0.13 0.14 -0.05 0.12 -0.12 -0.04 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.04 -0.26 -0.43 -0.09 0.40 -0.08 -0.03 -0.14 0.22 0.55 -0.00 -0.00 -0.02 -0.19 0.04 0.01 0.15 0.22 0.04 0.08 -0.22 0.21 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 0.02 -0.29 -0.06 0.02 0.19 -0.31 0.07 0.10 0.15 -0.37 0.00 -0.01 0.04 -0.25 0.38 -0.07 0.32 0.08 -0.01 -0.12 -0.37 -0.36 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 -0.00 -0.01 0.02 -0.00 -0.01 -0.01 0.02 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.13 0.22 0.04 -0.21 0.04 0.01 0.07 -0.11 -0.29 -0.00 -0.01 -0.04 -0.37 0.08 0.02 0.28 0.43 0.08 0.15 -0.43 0.41 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.03 0.36 0.07 -0.02 -0.23 0.38 -0.08 -0.12 -0.19 0.46 0.00 -0.01 0.03 -0.20 0.30 -0.06 0.26 0.06 -0.01 -0.09 -0.30 -0.30 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.02 -0.00 -0.01 0.02 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.06 -0.05 0.30 0.48 0.09 -0.09 0.01 -0.01 -0.13 0.18 0.48 0.01 0.05 -0.02 0.05 0.00 -0.01 -0.25 -0.37 -0.08 0.10 -0.28 0.28 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.04 0.23 0.37 0.06 -0.10 0.01 -0.00 -0.10 0.14 0.38 -0.01 -0.07 0.02 -0.08 0.00 0.01 0.32 0.47 0.10 -0.13 0.36 -0.36 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.08 -0.13 0.02 -0.03 -0.05 0.13 0.01 -0.09 -0.03 -0.40 0.58 -0.13 0.08 0.00 -0.01 0.15 0.45 0.45 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.07 -0.06 -0.09 -0.00 -0.01 0.37 -0.58 0.11 -0.16 -0.24 0.61 -0.00 0.02 0.01 0.08 -0.12 0.03 -0.03 -0.00 0.00 -0.03 -0.10 -0.10 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.09 0.00 0.02 0.86 0.18 -0.03 0.18 -0.32 0.07 0.05 0.11 -0.26 0.00 0.00 0.00 0.00 -0.01 0.00 -0.03 -0.01 0.00 -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.09 -0.01 0.02 0.19 0.34 0.07 0.86 -0.18 -0.04 0.04 -0.09 -0.23 0.00 -0.00 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 -0.00 0.02 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.02 0.00 0.03 -0.01 0.00 0.00 -0.00 -0.00 -0.09 0.01 -0.01 0.88 -0.20 -0.07 0.18 0.29 0.05 0.05 -0.17 0.17 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.01 0.00 0.01 -0.02 0.00 0.00 0.00 -0.00 -0.09 -0.01 -0.01 0.18 -0.28 0.05 0.87 0.22 -0.06 0.04 0.18 0.17 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.06 -0.00 -0.00 -0.06 0.00 0.00 0.00 -0.00 -0.01 0.68 0.01 -0.00 0.00 0.00 0.01 0.72 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.06 -0.00 0.00 0.06 -0.00 0.00 0.00 -0.00 -0.01 0.72 0.01 0.00 -0.00 -0.00 -0.01 -0.68 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.05 -0.00 0.65 0.76 0.04</array>
                     </module>
                  </module>
                  <table id="l716.forcematrix"/>
               </property>
               <property dictRef="cc:thermochemistry">
                  <list id="l716.thermochemistry">
                     <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.150</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.00000</scalar>
                     <list cmlx:templateRef="mass">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="47">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</array>
                        <array dataType="xsd:integer" dictRef="x:elementType" size="47">26 7 7 7 7 6 6 6 6 6 1 6 1 6 6 8 6 1 1 1 6 1 1 1 6 6 8 6 1 1 1 6 1 1 1 6 6 6 8 8 9 9 8 17 17 8 1</array>
                        <array dataType="xsd:double" dictRef="cc:atomicmass" size="47">55.93494 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 15.99491 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 12.00000 15.99491 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 15.99491 18.99840 18.99840 15.99491 34.96885 34.96885 15.99491 1.00783</array>
                     </list>
                     <scalar cmlx:templateRef="molmass"
                             dataType="xsd:double"
                             dictRef="cc:molmass">534.96861</scalar>
                     <matrix cols="3"
                             dataType="xsd:double"
                             dictRef="cc:moi.eigenvectors"
                             rows="3">0.99999 -1.9E-4 -0.00378 1.9E-4 1.0 -0.00106 0.00378 0.00106 0.99999</matrix>
                     <scalar dataType="xsd:string" dictRef="g:top">asymmetric</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:symmnumber">1</scalar>
                     <array cmlx:templateRef="rottemp"
                            dataType="xsd:double"
                            dictRef="cc:rottemp"
                            size="3">0.00971 0.00428 0.00331</array>
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.20229 0.08914 0.06891</array>
                     <scalar dataType="xsd:double" dictRef="cc:zpe" units="u:jmol-1">830869.1</scalar>
                     <array dataType="xsd:double" dictRef="cc:vibtemp" size="135">41.53 47.68 56.21 64.59 74.98 95.06 107.36 109.63 144.31 147.83 171.16 187.14 219.25 235.23 241.17 253.87 280.21 285.89 290.98 321.11 326.88 330.79 338.09 340.10 344.64 357.50 361.86 367.82 381.77 387.35 409.21 427.59 443.75 463.42 473.35 492.16 500.78 531.88 537.50 562.15 572.94 592.49 594.07 632.11 636.19 670.38 673.13 704.56 709.26 730.39 745.15 760.35 788.68 828.61 895.65 918.97 949.83 986.86 1008.30 1030.88 1042.67 1079.65 1086.52 1119.20 1169.50 1195.03 1242.02 1247.64 1268.13 1288.56 1296.95 1312.67 1357.80 1359.81 1361.41 1408.73 1419.19 1444.68 1447.26 1461.54 1462.11 1479.63 1586.48 1604.59 1626.65 1662.49 1679.26 1680.38 1705.84 1721.67 1731.72 1770.50 1810.71 1835.94 1937.09 1946.44 1960.08 1984.88 1993.08 1996.48 1996.68 2020.37 2021.48 2035.45 2052.23 2110.54 2136.16 2136.30 2149.28 2149.50 2153.17 2154.03 2168.67 2168.78 2271.13 2285.19 2304.23 2310.64 2341.21 2346.95 4401.56 4404.19 4405.55 4407.58 4514.69 4516.28 4516.60 4520.40 4547.33 4548.18 4562.32 4564.40 4700.80 4702.25 5269.19</array>
                  </list>
               </property>
               <property dictRef="cc:zeropoint">
                  <list id="l716.zeropoint">
                     <scalar dataType="xsd:string"
                             dictRef="cc:zpe.correction"
                             units="nonsi:hartree">0.316461</scalar>
                     <scalar dataType="xsd:string"
                             dictRef="cc:zpe.thermalcorrener"
                             units="nonsi:hartree">0.347964</scalar>
                     <scalar dataType="xsd:string"
                             dictRef="cc:zpe.thermalcorrenthalpy"
                             units="nonsi:hartree">0.348908</scalar>
                     <scalar dataType="xsd:string"
                             dictRef="cc:zpe.thermalcorrgfe"
                             units="nonsi:hartree">0.253726</scalar>
                     <scalar dataType="xsd:string"
                             dictRef="cc:zpe.sumelectzpe"
                             units="nonsi:hartree">-2570.640801</scalar>
                     <scalar dataType="xsd:string"
                             dictRef="cc:zpe.sumelectthermal"
                             units="nonsi:hartree">-2570.609298</scalar>
                     <scalar dataType="xsd:string"
                             dictRef="cc:zpe.sumelectthermalent"
                             units="nonsi:hartree">-2570.608354</scalar>
                     <scalar dataType="xsd:string"
                             dictRef="cc:zpe.sumelectthermalfe"
                             units="nonsi:hartree">-2570.703536</scalar>
                  </list>
               </property>
               <property>
                  <module cmlx:templateRef="l716.thermoprops">
                     <list cmlx:templateRef="total">
                        <scalar dataType="xsd:double" dictRef="cc:ethermo.total">218.351</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:cv.total">117.647</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:s.total">200.327</scalar>
                     </list>
                     <list cmlx:templateRef="elect">
                        <scalar dataType="xsd:double" dictRef="cc:ethermo.elect">0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:cv.elect">0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:s.elect">2.183</scalar>
                     </list>
                     <list cmlx:templateRef="trans">
                        <scalar dataType="xsd:double" dictRef="cc:ethermo.trans">0.889</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:cv.trans">2.981</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:s.trans">44.717</scalar>
                     </list>
                     <list cmlx:templateRef="rot">
                        <scalar dataType="xsd:double" dictRef="cc:ethermo.rot">0.889</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:cv.rot">2.981</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:s.rot">36.801</scalar>
                     </list>
                     <list cmlx:templateRef="vib">
                        <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">216.573</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:cv.vib">111.685</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:s.vob">116.626</scalar>
                     </list>
                     <list cmlx:templateRef="vibn">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">1</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.593</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.984</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">5.906</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">2</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.594</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.983</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">5.632</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">3</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.594</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.981</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">5.306</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">4</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.595</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.979</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">5.030</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">5</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.596</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.977</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">4.736</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">6</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.597</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.970</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">4.267</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">7</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.599</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.966</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">4.028</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">8</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.599</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.965</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">3.986</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">9</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.604</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.949</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">3.448</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">10</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.605</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.947</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">3.402</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">11</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.609</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.934</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">3.117</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">12</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.612</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.923</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.945</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">13</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.619</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.900</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.642</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">14</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.623</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.887</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.509</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">15</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.624</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.882</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.462</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">16</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.628</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.871</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.366</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">17</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.635</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.847</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.182</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">18</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.637</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.842</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.145</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">19</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.639</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.837</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.113</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">20</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.649</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.806</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.933</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">21</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.651</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.800</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.901</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">22</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.652</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.795</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.880</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">23</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.655</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.787</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.841</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">24</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.655</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.785</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.830</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">25</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.657</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.780</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.806</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">26</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.662</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.765</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.741</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">27</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.663</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.760</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.720</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">28</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.666</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.753</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.691</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">29</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.671</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.737</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.626</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">30</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.674</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.730</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.601</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">31</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.683</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.703</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.507</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">32</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.691</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.679</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.433</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">33</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.698</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.658</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.371</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">34</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.707</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.631</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.299</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">35</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.712</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.618</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.265</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">36</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.721</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.591</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.202</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">37</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.726</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.579</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.175</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">38</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.742</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.535</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.081</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">39</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.745</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.526</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.065</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">40</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.758</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.490</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.997</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">41</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.764</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.474</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.969</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">42</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.776</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.445</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.920</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">43</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.777</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.442</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.916</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">44</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.799</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.384</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.829</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">45</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.802</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.378</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.820</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">46</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.823</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.326</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.749</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">47</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.825</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.321</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.744</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">48</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.846</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.273</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.684</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">49</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.849</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.266</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.676</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">50</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.863</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.233</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.639</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">51</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.873</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.210</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.615</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">52</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.883</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.187</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.591</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">53</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.903</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.144</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.548</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">54</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.932</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.083</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.493</scalar>
                        </list>
                     </list>
                     <list cmlx:templateRef="totalv0">
                        <scalar dataType="xsd:double" dictRef="cc:q.v0">0.717910e+29</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.v0">28.856070</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.v0">66.443556</scalar>
                     </list>
                     <list cmlx:templateRef="vibv0">
                        <scalar dataType="xsd:double" dictRef="cc:q.vibv0">0.199851e+13</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.vibv0">12.300706</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.vibv0">28.323421</scalar>
                     </list>
                     <list cmlx:templateRef="elect">
                        <scalar dataType="xsd:double" dictRef="cc:q.elect">0.300000e+01</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.elect">0.477121</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.elect">1.098612</scalar>
                     </list>
                     <list cmlx:templateRef="trans">
                        <scalar dataType="xsd:double" dictRef="cc:q.trans">0.486349e+09</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.trans">8.686948</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.trans">20.002436</scalar>
                     </list>
                     <list cmlx:templateRef="rot">
                        <scalar dataType="xsd:double" dictRef="cc:q.rot">0.246204e+08</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.rot">7.391295</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.rot">17.019087</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:forces">
                  <scalar dictRef="cc:linkToAtoms">./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999']</scalar>
               </property>
               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-9.1862 -2.3410 0.8459</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">9.5174</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-310.9084 -239.2599 -209.2766</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-0.4953 -2.8945 -7.0213</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-57.7601 13.8884 43.8717 -0.4953 -2.8945 -7.0213</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-190.4903 -9.7280 11.5370 16.7894 -3.2722 27.8368 11.7719 -15.2024 53.3311 0.7839</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-14559.0864 -5958.2744 -1211.2383 -13.1478 147.5248 -8.8412 -35.0987 -9.1836 -50.5686 -3305.1729 -2288.2075 -1094.1889 -4.8496 14.7337 2.0985</array>
                  </list>
               </property>
               <property dictRef="cc:virtualorbs">
                  <array dataType="xsd:string" delimiter="|" size="472">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals:</array>
               </property>
               <property dictRef="cc:virtualorbs">
                  <array dataType="xsd:string" delimiter="|" size="472">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
               </property>
               <property dictRef="cc:occupiedorbs">
                  <array dataType="xsd:string" delimiter="|" size="132">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
               </property>
               <property dictRef="cc:occupiedorbs">
                  <array dataType="xsd:string" delimiter="|" size="130">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:electronicstate">3-A</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:hfenergy" units="nonsi:hartree">-2570.9572621</scalar>
                  <scalar dataType="xsd:string" dictRef="x:S2">2.100051</scalar>
                  <scalar dataType="xsd:string" dictRef="x:S2-1">0.</scalar>
                  <scalar dataType="xsd:string" dictRef="x:S2A">2.003355</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">4.131E-9</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">1.077E-5</scalar>
                  <scalar dataType="xsd:string" dictRef="x:ZeroPoint">0.3164613</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Thermal">0.3479641</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C17H15Cl2F2Fe1N4O6)]</scalar>
                  <array dataType="xsd:double"
                         dictRef="cc:dipole"
                         size="3"
                         units="nonsi:debye">-3.6127801 -0.9112947 0.3717184</array>
                  <array dataType="xsd:double"
                         dictRef="cc:dipolederiv"
                         size="423"
                         units="nonsi:unknown">3.0388391 0.0488865 0.0534041 0.1594027 2.8718744 0.1279288 0.4475311 0.2059979 1.132539 -0.2626657 -0.4600999 0.3630073 1.1751127 -2.6066934 0.6087128 0.2653453 0.1879183 -0.2367211 -2.9647977 -1.0188085 0.2300476 -0.3466528 -0.9262829 0.0810511 0.1221759 0.0147845 -0.4909225 -3.1236909 0.9751753 0.4369736 0.3948393 -0.8762157 -0.1940493 0.0957659 -0.0899335 -0.6471017 -0.3807193 0.4476684 0.3493488 -1.2795772 -2.4390297 -0.860988 0.0384295 -0.3820223 -0.3665988 0.0450849 0.5465684 -0.36728 -0.1956827 0.0547354 -0.2142865 -0.1001022 0.0215323 0.097452 0.1433825 -0.5656354 -0.3875779 0.1654871 0.0533849 0.210165 -0.0164938 0.0047457 0.1217151 0.2284317 -0.0662966 0.1804595 -0.0872912 -0.0330157 -0.033827 -0.1200623 -0.0131963 -0.1784852 0.1425681 0.088609 0.18176 0.0888162 -0.0349178 0.035064 -0.059083 0.0192269 -0.1614331 0.7548046 -0.6524728 -0.1627742 -1.9508034 0.4205966 -0.1834022 -0.1281321 0.045094 -0.0152698 0.1528021 0.0179081 0.0019094 0.0426243 0.1116284 -0.0120862 -0.0054122 -0.0051474 0.2098638 0.8114665 0.6311512 -0.1111602 1.9321388 0.4166988 0.2164927 0.0117412 -0.0173229 -0.0019796 0.148491 -0.0164279 -0.000557 -0.0393681 0.1065261 0.0049369 -0.0063638 0.0065409 0.2142634 -0.1601606 -0.4137209 0.063704 -0.2293795 0.5631753 0.019026 0.1287649 0.1305299 0.2815308 1.2529203 -0.1506867 -0.0207625 -1.1081303 3.9642905 -0.7424263 -0.0731648 -0.371353 0.2983481 -1.340846 1.0767025 -0.1889003 0.7421732 -2.4348772 0.3479019 0.0110259 0.2362533 -0.5542416 0.0847769 0.0470793 -0.0179459 0.0564578 0.0531704 -0.0092525 0.078111 0.1070306 0.0685601 -0.106116 -0.0843231 -0.0158544 -0.0695475 0.0558887 -0.0163099 -0.0093257 -0.0452137 0.0721274 0.0394583 0.0901194 -0.0163462 0.0733351 -0.153028 0.0031157 -0.0492578 -0.0360909 0.0654898 0.0795663 -0.0301471 0.0438044 -0.0312451 0.0363428 0.0773027 0.0242683 0.0271 -0.1558909 0.0617574 0.0546126 0.0245338 0.0083098 -0.0030546 0.0223793 -0.1243847 -0.1320246 0.1514361 0.0378309 0.1052857 -0.0187647 0.0900017 -0.1158607 0.0541627 0.0280706 0.1056705 0.0311206 -0.0682217 -0.0742681 0.0473173 -0.0626958 0.0795494 0.021305 0.0463008 0.0513108 0.03301 0.0793874 -0.0474545 -0.0399547 -0.0438053 -0.026788 -0.1318866 -0.0167637 -0.0803376 -0.1029137 1.2105478 0.2112258 0.0198182 1.1443396 3.7442677 1.126016 0.0951701 0.7826472 0.4773958 -0.1656923 0.3980513 0.1059548 0.2112486 0.5418744 0.0017889 0.1478988 -0.0208769 0.3018586 -1.3463612 -1.0569181 -0.3143849 -0.7685955 -2.3221994 -0.5315507 -0.1066223 -0.4430566 -0.6560577 0.0891575 -0.0494084 -0.0278947 -0.0666568 0.0554988 0.0109474 0.0844517 -0.1181202 0.0508152 0.0364109 -0.088208 -0.020274 -0.0665255 -0.1553785 -0.0227517 -0.0550744 0.021937 0.0734697 -0.1016958 0.0844948 -0.00963 0.068142 0.0501049 0.013009 -0.0032521 0.0418123 0.0776901 0.078778 0.0278974 0.0433909 0.029721 0.0471425 -0.0626914 0.0254896 -0.0184898 -0.1611626 0.0845097 -0.0679552 0.0040069 0.0026332 0.0009475 -0.0377516 -0.1154441 0.0953467 0.1579198 -0.0730703 0.0704266 0.0558502 0.057309 0.0882184 -0.015885 0.0489975 -0.0404797 0.0300489 0.0398026 -0.103094 -0.0253005 -0.0903458 -0.1033756 -0.0647051 0.0259101 -0.109635 0.0141638 0.0770378 0.0527192 -0.0394003 0.0473451 -0.0416558 0.135322 -0.015649 0.0812049 -0.091699 3.8876692 1.1192015 -0.3955531 0.8871801 1.1147883 -0.2967896 -0.3459676 -0.4514706 0.3026762 4.0055106 -1.0739601 -0.5589937 -0.8748286 1.0363688 0.4000124 -0.4432951 0.5635597 0.3865046 2.1849664 0.0115772 -0.1888785 -0.0243169 0.42291 -0.062078 0.2315304 -0.0666661 1.4973261 -2.4660409 -0.8296441 0.2406802 -1.4931854 -1.5089188 0.2737601 0.4329787 0.3223888 -0.6093013 -2.4851884 0.786032 0.3404127 1.4831787 -1.4461899 -0.3819351 0.5571387 -0.3963628 -0.6642357 -1.552683 -0.0132932 0.2214311 0.0031356 -0.3145908 0.0050886 0.002756 0.0015089 -0.3777767 -0.6117392 0.0037919 -0.075425 0.0083087 -0.4073201 0.030759 -0.2990131 0.0347043 -1.0869991 0.1994061 -0.2266138 0.7601519 -0.7606245 0.0365513 -1.4194739 -0.499805 -0.273638 0.6159945 -1.2074498 0.4323096 0.0193548 0.7667258 -0.3698147 -0.0096437 0.1303951 -0.041229 -0.0633861 -1.2346874 -0.4129728 -0.0146495 -0.7740632 -0.3538958 -0.0138122 0.0640301 0.0180817 -0.0635737 -0.5372795 0.1659619 -0.4741468 0.8329728 -0.6435155 1.6379224 -0.5092778 -0.0010667 -1.4760576 0.1937412 0.0089539 -0.2949123 -0.1076177 0.3900844 -0.146588 -0.0423305 0.0268065 0.3984881</array>
                  <array dataType="xsd:double"
                         delimiter="|"
                         dictRef="cc:polarizability"
                         size="6"
                         units="nonsi:unknown">816.0365101|-7.0087013|577.6078584|11.2507718|2.2555808|345.3696035</array>
                  <array dataType="xsd:double" dictRef="cc:forceConstants" size="10011">0.35269830 -0.01013406 0.32814383 -0.00882561 0.01347320 0.18520995 -0.08196752 0.03320475 -0.02149457 0.51532181 0.01412125 -0.06945798 0.02045590 0.09538244 0.56958784 -0.00893469 0.01266506 -0.02644380 -0.01148660 -0.06509106 0.09089571 -0.05289661 0.00869368 0.00860373 -0.00777652 -0.00021702 0.00650279 0.63087195 -0.02077990 -0.06970830 0.01523866 -0.00192286 0.00429337 0.00120080 -0.05494562 0.39430505 0.01272613 0.01596140 -0.01783323 -0.00094797 -0.00199238 0.00213199 -0.03269574 -0.06007418 0.11558889 -0.05079928 -0.00655670 0.02210544 0.00413391 0.01685795 0.00032534 0.00995254 -0.00431175 0.00203542 0.61192969 0.01952767 -0.06537123 -0.01583883 0.00480265 -0.00078066 -0.00301125 0.00408746 -0.00359310 -0.00227029 0.05322453 0.37998525 0.02878412 -0.02040765 -0.01360570 -0.00289863 -0.00046374 -0.00198423 0.00201371 0.00194120 0.00055405 -0.02217387 0.07920095 0.11892379 -0.08399675 -0.03212378 -0.02615510 -0.00339025 -0.00825831 -0.00415780 0.00344721 -0.00595875 -0.00302078 -0.00478190 0.00368169 -0.00090452 0.51771334 -0.01185586 -0.06436677 -0.01180380 0.00962479 -0.00476754 -0.00304878 -0.01723478 -0.00136010 0.00145843 0.00051299 0.00587477 -0.00159077 -0.09705563 0.55567629 -0.01555318 -0.02000845 -0.03376067 -0.00113489 0.00473439 0.00293112 -0.00191741 0.00166964 -0.00032951 0.00387595 0.00063418 0.00388339 -0.01138377 0.11262731 0.11419819 -0.02986457 0.01465839 0.00221349 -0.22116849 -0.04246885 0.01471115 -0.00199002 0.00055224 0.00103465 -0.00109983 -0.00030554 0.00008048 -0.01339454 0.03783179 0.00577012 0.67907852 0.00149990 0.00953184 0.00421874 -0.04022910 -0.12335806 0.01057209 -0.00125413 -0.00000312 0.00069388 -0.00094071 -0.00199068 -0.00031531 0.03724405 -0.04050215 -0.00253831 -0.05659131 0.64044305 -0.00545118 -0.00300525 0.00154726 0.01399207 0.00709797 -0.05059149 0.00017963 0.00027599 -0.00037829 0.00060023 0.00206907 0.00108318 0.00484713 -0.00614182 0.00481132 -0.04549546 0.01587817 0.14996485 -0.02936088 -0.01425881 0.00047341 -0.01470644 -0.03953759 0.00441470 -0.00075399 0.00067715 0.00081714 -0.00274390 -0.00065921 0.00057056 -0.22363559 0.04346775 0.01294307 -0.09974099 0.01624447 0.00107068 0.68450655 0.00022354 0.01038362 -0.00346880 -0.03706292 -0.03971978 -0.00171986 -0.00004461 -0.00248043 -0.00045689 0.00211277 0.00022507 -0.00006362 0.04173254 -0.12405828 -0.01444047 -0.01768228 -0.27124603 -0.00357663 0.05671359 0.64031977 -0.00338880 0.00209285 0.00141088 0.00066746 0.00379735 0.00473865 0.00090676 -0.00187996 0.00062010 0.00054912 -0.00037665 -0.00059387 0.01052110 -0.01032138 -0.05285199 0.00132353 -0.00991190 -0.06880467 -0.03650704 0.01932939 0.15186351 0.00137481 -0.00425581 -0.00119345 -0.05400637 0.00033104 0.00279271 0.00111728 0.00013773 -0.00082970 0.00133844 0.00005913 -0.00025231 0.00152057 -0.00240384 -0.00032762 -0.24769652 0.07879519 0.01911173 0.02524172 0.05529317 0.00077669 0.65099589 -0.00198748 -0.00135320 0.00002167 -0.00934103 0.01922067 0.00081127 -0.00012817 -0.00002351 0.00010730 -0.00075199 0.00044000 0.00002895 -0.00093480 -0.00668654 -0.00043581 0.11986820 -0.19209501 -0.01490405 0.02866207 -0.01532662 -0.00350227 0.00098759 0.75686138 -0.00098938 0.00114700 0.00200583 0.00467403 -0.00123879 0.00510570 -0.00076806 -0.00005569 -0.00019419 -0.00080878 0.00028958 0.00076666 0.00122428 -0.00050878 0.00248676 0.02077728 -0.01212273 -0.05810022 -0.00106359 -0.00462534 0.00369380 -0.04251774 0.02734234 0.12021429 0.00169360 0.00446567 -0.00128164 0.00219812 0.00357573 -0.00125265 0.00106296 -0.00034015 -0.00064912 0.00156355 -0.00031122 -0.00058212 -0.05462594 0.00038837 0.00331508 0.02385725 -0.05551670 -0.00262579 -0.25069800 -0.07887959 0.01141720 -0.05091369 -0.00404414 0.00434576 0.65215650 0.00168139 -0.00158961 -0.00026616 0.00068605 -0.00674183 -0.00055378 0.00084330 0.00056142 -0.00010722 0.00021029 -0.00007396 -0.00002485 0.00972050 0.01956786 0.00023622 -0.02871713 -0.01504943 0.00219150 -0.12073264 -0.19174950 0.00420030 0.00401437 -0.00029991 -0.00026696 0.00335435 0.75742024 0.00044944 -0.00087082 0.00199600 0.00056338 -0.00065866 0.00256718 -0.00048427 -0.00023244 0.00068410 -0.00054588 0.00007658 -0.00027638 0.00287503 0.00229642 0.00509346 -0.00274790 0.00385715 0.00419873 0.01191966 0.00061816 -0.05724575 0.00447091 0.00009805 0.00156430 -0.04100464 0.01949977 0.11934618 -0.00093527 0.00113837 0.00044832 0.00885404 0.00715349 0.00069494 -0.00032010 0.00007382 0.00037906 -0.00052415 0.00009060 0.00020500 -0.00076764 -0.00105557 -0.00005008 -0.06370516 0.01968848 0.00593473 -0.01217111 -0.02289050 0.00018085 -0.25858952 -0.13655731 0.01046443 0.02612540 0.02097503 -0.00128988 0.53495707 -0.00010259 0.00002615 0.00331390 0.01360345 0.00437947 0.00152949 -0.00322416 -0.00041172 0.00099270 -0.00354787 0.00054144 0.00037858 0.00747876 -0.00577126 0.00034226 -0.02949141 0.04969494 0.00366320 -0.03235680 -0.03927382 0.00128082 -0.07384399 -0.17755803 -0.00019885 0.07225506 -0.02459254 -0.00705753 0.06351261 0.58774047 0.00068552 0.00021967 0.00042651 -0.00049732 -0.00169758 0.00672961 -0.00010981 0.00001142 0.00009736 -0.00022039 -0.00023636 -0.00008767 0.00011905 -0.00014288 -0.00094177 0.00472993 0.00069706 -0.00018631 -0.00029030 0.00000557 -0.00038182 0.01239184 0.00526803 -0.05186101 0.00129866 -0.00304786 0.00394702 -0.03081199 0.01494686 0.10768701 0.00008807 0.00041190 0.00002931 0.00188047 -0.00237672 -0.00040961 0.00011774 -0.00002977 0.00000447 0.00007432 -0.00001398 -0.00000874 -0.00036522 0.00195713 0.00018729 0.00495459 0.02843085 0.00113678 -0.00427860 0.00067835 0.00091671 -0.05221184 0.00359344 0.00100529 -0.00086124 0.00019317 0.00001649 0.00029163 -0.02696283 -0.00096499 0.05381891 0.00001312 -0.00020879 -0.00002938 -0.00065071 0.00014129 0.00034415 0.00004203 0.00003245 -0.00000390 0.00001553 -0.00001308 -0.00000700 -0.00006562 -0.00063340 -0.00012792 -0.00164907 -0.00903128 -0.00032053 0.00176863 0.00127752 -0.00031763 0.00384447 -0.35827642 -0.01436483 0.00008053 0.00049755 0.00004624 0.00154420 -0.00859077 -0.00067531 -0.00229135 0.37499381 -0.00026393 -0.00023057 -0.00015257 -0.00024259 0.00082198 -0.00397864 0.00000815 -0.00003793 -0.00002953 0.00007338 0.00014354 0.00002720 0.00011701 -0.00027535 0.00006785 -0.00007481 -0.00270923 0.00409228 0.00083417 -0.00003405 0.00593863 0.00077751 -0.01378223 -0.03414165 -0.00005217 0.00007892 -0.00112004 0.00022043 0.00116656 0.00278576 -0.00182244 0.01512166 0.02344939 -0.00093490 -0.00123184 0.00042783 -0.00118990 0.00046609 0.00055882 -0.00045168 0.00004714 0.00028230 -0.00041086 0.00002678 0.00027950 0.00919221 -0.00774484 -0.00039037 -0.01141528 0.02224861 0.00146071 -0.06393872 -0.01920799 0.00457778 0.02506232 -0.02118388 -0.00291068 -0.25641474 0.13641545 0.02080565 -0.08755313 -0.03290248 0.00160299 -0.00350593 -0.00161729 0.00053445 0.53375507 0.00018197 -0.00033794 -0.00371688 -0.00715319 -0.00448486 -0.00207907 0.00308385 0.00037014 -0.00099066 0.00375431 -0.00058441 -0.00040907 -0.01383125 0.00523556 -0.00026755 0.03187784 -0.03910067 -0.00358957 0.02997858 0.05050965 -0.00071133 -0.07286544 -0.02460990 0.00518856 0.07370621 -0.17876584 -0.00946041 0.03097830 -0.29715642 -0.01209118 -0.00087574 0.00046660 -0.00003534 -0.06074142 0.58863177 0.00046302 -0.00012337 0.00017132 -0.00035035 -0.00017955 -0.00099843 0.00000135 0.00021419 -0.00014626 0.00015080 -0.00002274 0.00006497 -0.00140165 0.00136051 0.00694397 0.00207258 -0.00297760 -0.00071328 0.00662128 0.00298649 -0.00038691 -0.00403214 0.00081818 0.00442205 0.01840879 -0.01479984 -0.05303474 0.00395813 -0.00732850 -0.05325943 0.00059979 -0.00002294 0.00508731 -0.03555608 0.02261032 0.10872696 0.00010111 -0.00038096 -0.00010043 -0.00036968 -0.00197242 0.00000475 0.00006923 0.00002926 0.00000533 0.00010158 0.00001785 0.00000724 0.00188753 0.00231069 -0.00015956 -0.00429863 -0.00068977 0.00084243 0.00475222 -0.02857202 -0.00087788 -0.00088463 -0.00018121 0.00001219 -0.05255713 -0.00641979 0.00047697 -0.00347563 0.00087518 0.00066176 0.00014499 -0.00002061 -0.00003967 0.00054749 0.02693740 0.00095672 0.05378271 -0.00000842 -0.00020128 0.00000303 0.00004978 -0.00064920 0.00005950 -0.00001460 -0.00000188 0.00000439 -0.00004172 0.00002208 0.00000653 0.00062243 0.00022451 0.00003845 -0.00177067 0.00127107 -0.00004864 0.00156586 -0.00896935 -0.00069755 -0.00007928 0.00049845 0.00006562 -0.00658266 -0.35848939 -0.00844892 0.00163355 0.00049219 -0.00030916 0.00002055 -0.00005802 0.00001087 -0.00170854 -0.00885186 -0.00016376 0.00533667 0.37528513 -0.00023538 0.00010744 -0.00008827 0.00000443 0.00011504 0.00009491 0.00007431 -0.00010773 0.00002260 -0.00000117 0.00002782 -0.00003859 -0.00007876 -0.00041725 -0.00408257 0.00069985 -0.00019199 0.00595828 0.00014959 0.00166074 0.00432794 -0.00014419 0.00004682 -0.00110436 -0.00008769 -0.00893349 -0.03358765 0.00072487 -0.00019660 0.00502302 -0.00003539 0.00000536 -0.00028671 0.00027225 -0.00214368 0.00261740 -0.00163990 0.01002361 0.02297918 0.01229945 -0.00197200 0.00193456 -0.00992183 -0.00619309 0.00227986 -0.10173252 0.01403163 0.00031984 -0.00009676 0.00018263 0.00043569 -0.00198713 -0.00280142 -0.00067600 0.00140741 0.00184947 -0.00026115 0.00075708 -0.00069063 -0.00079374 -0.00001792 0.00014931 -0.00005665 0.00010575 0.00039502 -0.00006296 -0.00015818 -0.00060563 0.00007049 0.00000967 -0.00012441 -0.00007431 -0.00009571 0.00059142 0.00020012 0.00006706 0.00002955 -0.00008284 0.47529574 -0.00654311 -0.01824910 0.00374538 -0.03391971 -0.02013287 0.00284552 0.02487464 -0.13659754 0.01170874 0.00042566 -0.00003165 0.00011281 0.00013788 0.00233005 -0.00003638 0.00230999 -0.00303414 0.00118049 -0.00142405 -0.00013093 0.00032313 -0.00074224 -0.00000205 0.00006510 -0.00001723 -0.00074764 0.00003777 0.00020438 0.00093840 -0.00013843 -0.00020562 -0.00005512 0.00018336 0.00022032 -0.00063164 -0.00008851 -0.00015253 -0.00004573 0.00007299 0.01123473 0.44746523 -0.00045459 0.00278430 0.00072602 0.00300330 0.00267009 0.01028943 0.00086136 0.01213633 -0.06198285 -0.00124464 0.00014419 0.00001397 0.00203317 -0.00103489 0.00112737 -0.00121622 0.00135309 0.00711035 -0.00018402 0.00097394 -0.00010356 0.00038564 -0.00007240 -0.00016299 0.00045848 0.00009655 -0.00054931 -0.00051593 -0.00069086 -0.00075484 0.00010700 -0.00012208 0.00049950 -0.00029627 0.00054910 0.00008483 0.00003206 0.00000547 -0.00003406 0.00184253 0.00443990 0.42611233 0.01155207 0.01244423 -0.00518936 -0.14433307 -0.07140762 0.00333187 -0.01391550 0.00795276 -0.00069311 -0.00381674 0.00131458 0.00129984 -0.00124152 0.00042278 -0.00045588 -0.00749480 -0.03795261 0.00369663 -0.00693414 -0.00001571 0.00101644 0.00267642 -0.00160846 0.00009612 0.00001290 -0.00174959 -0.00049320 -0.00030638 0.00003601 -0.00059752 -0.00241180 0.00050698 0.00080828 0.00060561 -0.00008973 -0.00016348 -0.00057067 -0.00019926 0.00014694 -0.16034096 -0.00491712 0.00207315 0.66224295 0.03567946 -0.03342434 0.00278727 -0.05660785 -0.21058416 0.02261624 0.03464570 -0.01066281 0.00057409 -0.01168416 0.00168665 0.00025132 0.00467450 -0.00220984 0.00054777 -0.04352886 -0.02555321 0.00090567 0.00012387 0.01376810 -0.00025062 0.01272403 -0.00080928 -0.00035887 0.00005103 -0.00045534 -0.00055201 -0.00459983 -0.00565396 0.00100147 0.00302951 0.00046672 -0.00093909 -0.00006739 0.00286217 0.00013036 0.00028130 0.00019342 -0.00007118 -0.04091706 -0.06848618 0.00039659 -0.13326953 0.68890086 -0.00391694 0.00990987 -0.00058151 0.00929506 0.01523866 -0.05777799 -0.00644828 0.00113328 -0.00190852 -0.00138206 -0.00139948 0.00042278 0.00076890 -0.00076375 -0.00047123 0.00391496 0.00264547 -0.00416890 -0.00136791 -0.00116275 0.00320901 -0.00024313 0.00047673 -0.00054754 0.00074002 -0.00021299 0.00108470 -0.00012079 -0.00054041 -0.00014635 -0.00024498 -0.00014381 -0.00016395 -0.00020657 0.00077310 -0.00012591 -0.00010690 -0.00006452 -0.00009288 0.00482186 -0.00151731 -0.07626614 0.01859342 -0.06067510 0.22658771 0.00479360 -0.00808163 0.00090676 0.02407496 0.04321812 -0.00177673 -0.01455837 -0.00095780 0.00081082 -0.00193746 0.00028614 -0.00005312 0.00118768 0.00001247 0.00010837 -0.00756388 -0.00124806 -0.00016767 0.00119279 0.00293001 -0.00007253 -0.00312141 -0.00018628 0.00085531 0.00012926 -0.00026643 -0.00001810 0.00004632 -0.00271480 0.00053763 0.00164599 -0.00255484 -0.00069280 -0.00037341 0.00059712 0.00003144 0.00014169 0.00007863 -0.00004343 -0.02469627 0.03044727 -0.00327520 -0.31855583 0.21633010 -0.02904597 0.33851219 -0.01673655 0.00818014 0.00178139 0.02898281 -0.11139211 0.01322181 0.00196272 0.00313905 -0.00031048 0.00640473 -0.00168523 -0.00086055 -0.00100904 -0.00046736 -0.00016941 0.01727425 0.01002037 -0.00123249 -0.00076222 -0.00434530 0.00003801 -0.00592767 0.00152878 0.00066113 0.00053395 0.00024269 0.00031315 0.00129385 -0.00059608 0.00000403 -0.00241657 -0.00219474 0.00028878 -0.00025447 0.00034853 0.00003529 -0.00012193 -0.00005737 0.00000642 0.01901631 0.00096925 0.00051576 0.25216567 -0.33246087 0.03476740 -0.28740814 0.42831030 0.00163297 -0.00187640 0.00167514 -0.00386551 0.01634918 0.01971102 0.00017724 -0.00000434 0.00144771 0.00008946 0.00045232 -0.00024332 -0.00054117 0.00053012 0.00013517 -0.00186749 -0.00180267 -0.00228909 0.00075352 0.00028234 -0.00061689 0.00131085 -0.00051489 0.00004039 -0.00062801 -0.00003515 -0.00017020 0.00014945 0.00130868 0.00057159 -0.00005687 0.00049644 0.00019791 0.00033698 -0.00085149 -0.00007885 0.00003126 0.00001554 0.00005030 -0.00127624 0.00116022 0.01321158 -0.03304939 0.03367462 -0.07207445 0.03471295 -0.04920394 0.03509415 -0.00313402 -0.00033858 -0.00028551 -0.00514592 -0.00359090 0.00171437 0.00308876 0.01545805 0.01097373 0.00038996 0.00004003 -0.00015837 0.00003820 0.00086391 0.00005445 0.00058261 -0.00053208 0.00156582 -0.00025462 -0.00007231 0.00006468 -0.00038436 -0.00001629 0.00001433 -0.00011216 -0.00013860 -0.00007533 0.00014586 0.00023366 -0.00014118 0.00003268 -0.00003736 0.00008477 0.00007217 -0.00025189 -0.00001155 -0.00003805 -0.00001513 0.00000817 -0.08340036 -0.01980440 -0.02651758 -0.01026102 -0.01915878 -0.02697832 -0.00087706 -0.00140122 0.00168773 0.58605244 0.00263592 -0.00020684 0.00016639 0.00162986 0.00286343 -0.00071681 0.00112428 -0.03457637 -0.01779007 -0.00036755 -0.00007495 0.00008689 0.00001829 -0.00065400 0.00000028 -0.00109444 -0.00015772 0.00011744 0.00000885 0.00021016 -0.00007032 0.00045997 -0.00006111 -0.00003362 0.00006656 0.00005372 -0.00003484 -0.00019812 -0.00025569 0.00001608 -0.00003670 0.00001826 0.00001243 -0.00004215 0.00023931 0.00001246 0.00001481 0.00000303 -0.00000471 -0.01276492 -0.10182030 -0.04577602 -0.01751290 -0.00719466 -0.00628230 0.00342683 -0.00209827 0.00066698 -0.01956959 0.52434481 -0.00056601 -0.00089577 -0.00043587 0.00233488 0.00308274 -0.00083776 0.00250095 -0.00007450 0.00409360 -0.00022576 0.00007139 -0.00010798 -0.00004405 0.00071701 0.00011207 -0.00057774 -0.00001864 -0.00045961 0.00029492 0.00017964 0.00001893 0.00021891 0.00006494 -0.00002004 -0.00014095 0.00000511 0.00003726 -0.00005815 0.00021287 0.00007149 -0.00002320 0.00001854 -0.00001315 0.00003976 -0.00023203 -0.00002037 0.00002056 0.00000932 -0.00000584 -0.01632124 -0.04303998 -0.12390004 -0.01194747 -0.00188446 -0.00039423 0.00283471 -0.00201148 0.00062589 -0.02116657 -0.06746531 0.51495236 -0.00015195 0.00016699 -0.00000082 -0.00068085 -0.00039862 -0.00022991 0.00047837 -0.00022801 0.00010342 0.00009283 -0.00002623 -0.00000145 -0.00000142 -0.00005175 -0.00000901 0.00016294 -0.00005225 0.00008946 -0.00006600 -0.00001804 0.00002708 -0.00004262 -0.00001791 0.00001109 0.00000197 -0.00001415 -0.00000590 0.00002269 -0.00001593 -0.00001277 0.00000943 -0.00000153 0.00000168 0.00000805 0.00001226 0.00000080 -0.00000743 -0.00000171 -0.00000033 -0.00747891 -0.00069516 0.00033622 0.00132541 -0.00055879 -0.00107068 -0.00006044 -0.00049912 0.00003034 -0.31120215 -0.05512092 0.01312948 0.33608532 -0.00068108 0.00011040 0.00015503 -0.00149992 -0.00147181 0.00039529 0.00070954 0.00177610 0.00075755 0.00015605 -0.00002332 -0.00000179 0.00001416 0.00008273 -0.00001529 0.00033248 -0.00003733 0.00036341 -0.00010959 -0.00006489 0.00001284 -0.00015415 -0.00001327 0.00001891 0.00000806 -0.00003279 -0.00001260 0.00004748 0.00001991 -0.00004817 0.00001133 -0.00001289 0.00002434 0.00000610 -0.00001742 -0.00000095 -0.00001229 -0.00000500 0.00000279 -0.02321217 -0.00687403 -0.00158579 0.00330260 -0.00170473 -0.00369397 -0.00080795 0.00101426 0.00058660 -0.05360143 -0.05705164 0.00532896 0.06001388 0.05947181 -0.00044533 0.00028019 0.00009872 -0.00173634 -0.00135090 0.00030974 0.00098456 0.00148472 0.00065514 0.00014141 -0.00003012 -0.00001001 0.00001375 -0.00001191 -0.00002546 0.00032481 -0.00015905 0.00030977 -0.00014391 -0.00005887 0.00002802 -0.00012869 -0.00002163 0.00000831 0.00001826 -0.00003557 -0.00001935 0.00005081 -0.00000728 -0.00003506 0.00001362 -0.00000846 0.00001031 0.00000544 0.00000848 0.00000107 -0.00001522 -0.00000597 0.00000231 -0.02580259 -0.00479089 -0.00118499 0.00207399 -0.00250015 -0.00381000 -0.00098006 0.00026999 0.00041067 0.01577224 0.00469865 -0.04808585 -0.01425290 -0.00160854 0.04966245 0.00023519 0.00002123 0.00023480 0.00034897 0.00021813 -0.00008399 0.00045566 -0.00205485 -0.00110606 0.00004637 0.00000656 0.00003536 0.00001746 -0.00014481 -0.00002481 -0.00008569 0.00005859 -0.00009127 0.00000879 0.00001322 0.00000904 0.00004213 -0.00001532 -0.00000800 0.00003146 0.00001282 0.00000961 -0.00002353 -0.00004176 0.00000653 -0.00000480 0.00000174 -0.00000149 -0.00001596 0.00005143 0.00000237 0.00000340 0.00000109 -0.00000072 0.00307373 -0.00708371 0.00100685 -0.00059571 0.00004216 0.00055561 -0.00012443 -0.00109898 -0.00035712 -0.11935221 0.12014508 -0.01768556 -0.01347707 0.02720057 -0.00440749 0.12606231 0.00101202 0.00065634 0.00009858 0.00009742 0.00019502 -0.00004740 0.00004414 -0.00379600 -0.00399602 -0.00004092 -0.00006673 0.00007424 0.00001117 -0.00041825 -0.00006059 -0.00004485 0.00000554 0.00000369 -0.00005484 -0.00001471 -0.00002329 0.00005524 -0.00002369 -0.00000687 0.00005812 0.00002759 -0.00000983 -0.00002642 -0.00012592 -0.00000921 -0.00001365 0.00000142 0.00000393 -0.00002057 0.00013409 0.00000978 -0.00000003 -0.00000107 -0.00000095 0.00933253 -0.01713639 0.00372960 0.00190945 -0.00134254 0.00050270 0.00007897 0.00165416 0.00036399 0.11814067 -0.24051038 0.02948442 -0.00397687 0.00744429 -0.00112315 -0.12985679 0.26115141 0.00096298 0.00031969 0.00009575 0.00021983 0.00027727 -0.00002753 -0.00093519 -0.00457505 -0.00265486 0.00000608 -0.00002326 0.00005069 -0.00005626 -0.00036741 -0.00004448 -0.00004699 0.00003377 -0.00003265 -0.00002228 -0.00004513 -0.00002563 0.00004787 -0.00001941 -0.00000708 0.00004313 0.00002936 -0.00000299 -0.00002173 -0.00010837 -0.00000513 -0.00000490 0.00000031 0.00000683 -0.00001749 0.00011204 0.00000869 0.00000143 -0.00000029 -0.00000186 0.01256257 -0.01873575 0.00219674 0.00040625 -0.00023695 0.00060208 0.00006968 0.00030917 -0.00006987 -0.01813262 0.03130716 -0.05217269 0.00109496 -0.00184388 -0.00059527 0.02040785 -0.03047254 0.05382624 0.00007429 0.00000868 0.00008969 0.00014771 0.00016874 -0.00003741 0.00008454 0.00041536 0.00080250 -0.00001234 -0.00000213 -0.00001321 -0.00001488 0.00000455 0.00001274 -0.00000897 0.00000645 0.00002007 0.00000386 -0.00000648 -0.00000132 0.00001269 0.00000028 -0.00000288 0.00000351 0.00000366 -0.00001100 -0.00001624 -0.00000932 0.00000111 0.00000196 0.00000246 -0.00000132 -0.00000578 0.00000670 0.00000395 0.00000165 0.00000036 0.00000081 -0.00001240 0.00435460 -0.00876270 0.00071338 0.00042669 -0.00076998 -0.00016917 0.00002995 0.00012471 -0.06220547 -0.02376848 0.05353987 -0.00400218 -0.01231944 0.02878010 0.00394070 0.00542855 -0.01592131 0.06131022 -0.00009941 0.00012580 0.00004714 0.00007236 0.00008337 0.00001469 -0.00022678 0.00242683 -0.00009384 0.00001351 -0.00000004 -0.00000683 -0.00004069 0.00002322 -0.00000790 0.00005019 -0.00002379 -0.00003968 0.00001088 -0.00000657 0.00000672 -0.00001151 0.00000076 -0.00000990 -0.00000861 -0.00000564 0.00000078 0.00001494 0.00003080 0.00000476 0.00000300 0.00000286 -0.00000052 0.00000501 -0.00002633 0.00000052 -0.00000114 -0.00000045 -0.00000008 0.00495750 0.00682326 -0.02075723 0.00109563 0.00065934 0.00005320 -0.00003271 0.00017058 0.00005308 -0.02315976 -0.08937685 0.09607153 -0.00018701 -0.00293045 0.00476050 -0.00779468 -0.00889580 0.02413167 0.02655288 0.09321380 0.00000467 -0.00004876 -0.00011211 -0.00047720 -0.00046465 -0.00004361 -0.00052611 0.00144421 0.00133849 0.00004836 -0.00001151 0.00000473 -0.00005937 -0.00002406 -0.00001597 0.00014166 -0.00005475 -0.00004554 -0.00002976 -0.00006135 0.00000504 -0.00005969 0.00000135 0.00000344 -0.00000343 -0.00000664 0.00000081 0.00002702 0.00000582 0.00000160 0.00000099 -0.00000459 -0.00000886 0.00000530 -0.00000461 0.00000048 -0.00000445 -0.00000167 0.00000014 0.00359459 0.00882248 -0.01955190 0.00222527 0.00038667 -0.00031601 -0.00088142 0.00032216 0.00002053 0.05299495 0.09361664 -0.26202634 -0.00024872 -0.00014211 0.00021572 0.00072360 0.00051358 -0.00195202 -0.05634179 -0.10029389 0.28603066 -0.00357452 -0.00006039 -0.00031907 -0.00419592 -0.00347637 -0.00171078 0.00319723 0.01179650 -0.01540914 0.00016494 -0.00004395 -0.00022599 0.00035952 0.00075016 0.00025507 0.00081908 -0.00076454 -0.00138961 -0.00039963 -0.00009418 0.00019944 -0.00031555 -0.00000526 0.00014591 -0.00006740 -0.00021522 0.00011426 0.00021413 0.00028977 0.00006190 0.00003627 -0.00000378 -0.00004009 0.00007735 -0.00029676 -0.00006808 -0.00005127 -0.00001850 0.00002933 -0.07885284 -0.00901078 0.02800914 -0.00914550 -0.01002286 0.03266334 -0.00205823 -0.00126044 -0.00112476 0.00298206 0.00272632 -0.00847625 0.00043737 0.00072044 -0.00057670 0.00032193 0.00017930 0.00042503 0.00000674 -0.00146400 -0.00188340 0.59304830 0.00302960 0.00004651 0.00103413 0.00071954 0.00163141 -0.00002492 -0.00030005 -0.02424040 0.02737081 0.00004106 -0.00003688 0.00001987 -0.00065478 -0.00054589 -0.00051161 -0.00059130 -0.00024929 -0.00025353 0.00007383 -0.00015802 -0.00011766 0.00018787 -0.00001407 -0.00003826 -0.00006675 0.00007930 0.00002045 -0.00003869 -0.00013446 0.00004213 -0.00004070 0.00001168 -0.00000467 0.00003692 0.00013661 0.00001306 0.00000775 0.00000107 0.00000306 -0.00432711 -0.07606599 0.02749309 -0.01300841 -0.00389598 0.00834782 0.00241130 -0.00141283 0.00003770 0.00438950 0.00808498 -0.01921569 0.00026480 0.00047618 0.00031854 0.00014586 0.00052242 0.00001780 -0.00150777 -0.00294564 -0.00444461 -0.00747296 0.56282180 -0.00016945 0.00109903 0.00004953 -0.00253014 -0.00382559 -0.00080781 -0.00313987 0.00944848 -0.00511739 0.00065920 -0.00017645 0.00012163 -0.00025648 -0.00061161 -0.00038702 0.00116224 0.00010567 -0.00019249 -0.00013325 -0.00041437 0.00006540 -0.00044118 -0.00002182 0.00006968 0.00003052 -0.00001452 0.00003084 0.00018067 -0.00006159 -0.00003596 0.00004043 -0.00000929 -0.00000621 0.00001885 0.00009977 0.00001056 -0.00002254 -0.00000829 0.00000736 0.01396033 0.02419610 -0.14495828 0.01899265 0.00426999 -0.00626020 -0.00401050 0.00330587 0.00000439 0.00540189 0.00560847 -0.03038188 0.00048968 0.00163543 0.00186068 0.00037893 0.00112429 0.00097650 -0.00106109 -0.00291048 -0.00257607 0.01800347 0.05296950 0.46293851 0.00017312 -0.00016161 0.00012254 0.00026959 0.00019166 0.00006164 0.00063988 -0.00148337 0.00121761 0.00011229 0.00003269 0.00005961 -0.00012656 -0.00001218 -0.00013538 -0.00001966 0.00007027 0.00008533 0.00007110 -0.00004548 -0.00001105 -0.00001253 0.00000260 -0.00001369 -0.00002858 0.00001811 0.00001232 0.00000824 0.00002905 -0.00000269 -0.00001098 -0.00000054 0.00000603 0.00001090 -0.00001555 -0.00000139 0.00000460 0.00000185 0.00000102 0.00235273 -0.00545895 0.00110339 -0.00085350 -0.00063262 -0.00008061 -0.00043268 -0.00076795 0.00080836 0.00021460 0.00004499 -0.00030242 0.00005974 0.00004944 0.00000520 0.00002351 -0.00008836 -0.00013341 -0.00004434 -0.00009885 -0.00003783 -0.12978579 0.12469255 -0.02060394 0.13782131 0.00073597 0.00045894 0.00013452 -0.00005404 0.00015669 0.00005240 0.00031692 -0.00103033 0.00319046 0.00001664 -0.00003418 0.00003703 -0.00005265 -0.00023051 -0.00009087 -0.00000133 -0.00002272 0.00000220 -0.00002196 -0.00002937 -0.00001349 0.00003025 -0.00000957 -0.00000125 0.00001998 0.00002076 -0.00000410 -0.00001090 -0.00006728 -0.00000357 -0.00001773 0.00000418 -0.00000082 -0.00000409 0.00007480 0.00001028 0.00000013 -0.00000067 -0.00000027 0.00488151 -0.01060024 0.00071050 0.00176827 -0.00150117 0.00006848 -0.00000774 0.00143181 -0.00091082 -0.00002393 0.00019377 -0.00076920 -0.00001195 0.00002999 0.00002145 -0.00005620 0.00035721 0.00005577 -0.00017684 0.00013628 0.00001758 0.12275705 -0.23016290 0.02886730 -0.13517199 0.24821941 -0.00142102 -0.00052937 -0.00027762 -0.00018354 -0.00042226 0.00003772 0.00111373 0.00383704 -0.00513244 -0.00011991 0.00005821 -0.00008025 0.00025559 0.00041062 0.00022867 0.00001964 -0.00000628 -0.00003024 -0.00002411 0.00012057 0.00004873 -0.00002639 0.00001167 0.00001097 -0.00000578 -0.00005114 0.00000583 0.00000321 0.00010194 0.00000578 0.00002276 -0.00000194 -0.00000236 -0.00000210 -0.00011358 -0.00001568 -0.00000280 -0.00000010 0.00000224 -0.01565994 0.02329647 -0.00436106 -0.00094568 0.00139433 0.00046863 0.00003006 -0.00092379 0.00031763 -0.00041896 0.00021050 0.00131519 -0.00011278 -0.00004341 -0.00008284 0.00007144 -0.00028344 -0.00031855 0.00021573 -0.00001916 0.00026793 -0.01958878 0.02704389 -0.05088261 0.02076821 -0.03343774 0.05476155 -0.00011183 0.00015481 0.00003572 -0.00043766 -0.00018494 0.00031715 0.00028561 -0.00052651 0.00015810 0.00010442 -0.00002644 0.00003802 -0.00001165 -0.00002843 -0.00001195 0.00007454 -0.00006105 -0.00006556 -0.00005836 -0.00000254 -0.00001746 -0.00001638 -0.00001814 0.00000620 0.00000398 -0.00000958 0.00000520 0.00001415 -0.00002149 -0.00000071 0.00000953 0.00000039 -0.00000412 0.00000291 0.00001427 0.00000090 -0.00000556 -0.00000068 -0.00000109 -0.00544245 -0.00042553 -0.00022241 0.00087816 -0.00005494 0.00096604 0.00013716 -0.00065718 0.00018415 0.00042593 0.00019835 -0.00049406 0.00002984 0.00027319 0.00045112 0.00005768 0.00003683 0.00011315 0.00016201 -0.00001579 -0.00002285 -0.30940086 -0.06497258 0.02024745 -0.01364943 -0.00468669 0.00102285 0.33407044 -0.00059055 -0.00007099 -0.00001394 -0.00073367 -0.00090503 -0.00025349 0.00062886 0.00102385 -0.00086750 0.00016792 -0.00002207 -0.00001029 -0.00004033 0.00013371 -0.00003297 0.00031971 -0.00002422 -0.00022521 -0.00002638 -0.00008945 0.00002993 -0.00013011 0.00000553 0.00002883 -0.00003554 -0.00002843 0.00003372 0.00006325 0.00007945 0.00000941 -0.00000444 -0.00000290 -0.00001336 0.00002535 -0.00007372 -0.00000866 -0.00000848 -0.00000275 0.00000403 -0.01312543 -0.00417860 0.00303889 0.00244545 -0.00012794 0.00232957 -0.00042202 0.00080379 -0.00075727 0.00083397 0.00004355 -0.00101522 0.00019724 0.00037431 0.00004608 0.00006591 0.00000148 0.00001658 0.00009403 -0.00013873 -0.00003589 -0.06394608 -0.06259046 0.00201784 0.02628541 0.00817573 -0.00236096 0.06944947 0.06267482 0.00065841 -0.00031098 0.00001149 0.00196686 0.00170949 0.00043627 -0.00116722 -0.00147681 0.00161600 -0.00025430 0.00005196 0.00002746 0.00005838 -0.00003700 0.00007465 -0.00054123 0.00022788 0.00032411 0.00012939 0.00014864 -0.00004789 0.00020695 0.00000599 -0.00004709 0.00002241 0.00006090 -0.00004031 -0.00010815 -0.00006390 -0.00000357 -0.00002076 0.00000113 0.00001051 -0.00003536 0.00005413 0.00001331 0.00002045 0.00000761 -0.00000990 0.03162880 0.00674210 -0.00596349 -0.00332242 0.00128577 -0.00573379 0.00145216 -0.00049755 0.00077825 0.00033799 0.00029638 0.00240477 -0.00054913 -0.00031334 -0.00012411 -0.00002534 -0.00009768 -0.00008180 -0.00020364 0.00016250 0.00028333 0.01718025 0.00220636 -0.04655890 -0.00402166 -0.00155301 -0.00045569 -0.02112541 -0.00495648 0.05090120 0.00007689 -0.00004652 -0.00005965 0.00006994 0.00022939 0.00009974 0.00003741 0.00004770 -0.00072246 -0.00002206 0.00001610 0.00000571 -0.00000208 -0.00000462 0.00000227 -0.00001887 -0.00000442 -0.00002770 0.00002546 0.00000048 -0.00000748 0.00000934 0.00000519 -0.00001278 -0.00000623 -0.00000103 0.00000748 -0.00000936 -0.00000031 0.00000921 0.00000045 0.00000278 -0.00000549 -0.00000005 -0.00000125 -0.00000027 0.00000203 0.00000093 -0.00000161 -0.00033992 0.00563562 0.00516490 0.00050054 0.00056194 0.00061261 -0.00015570 -0.00008978 -0.00009464 0.00022698 -0.00070786 0.00108417 0.00017622 0.00016143 0.00020260 -0.00005021 -0.00023855 -0.00010691 0.00048104 0.00013417 0.00034798 -0.06426726 -0.04389950 -0.04467980 0.00471697 0.01134471 0.01386306 -0.00442463 -0.02125667 -0.02264366 0.06331963 -0.00008886 0.00005796 -0.00020921 0.00019605 0.00034887 0.00005964 -0.00006443 0.00160563 0.00028335 -0.00000982 -0.00000913 0.00001667 0.00003429 0.00006602 0.00001794 -0.00001552 -0.00001576 -0.00001008 0.00002429 0.00002181 0.00000562 0.00001631 0.00000802 -0.00000683 -0.00000366 -0.00000477 -0.00000085 -0.00000342 0.00001932 0.00000381 0.00000033 0.00000366 -0.00000262 0.00000077 -0.00001852 -0.00000119 0.00000108 0.00000060 -0.00000147 0.00359880 0.00741631 0.01091560 0.00020132 0.00024835 -0.00012124 0.00028084 0.00006500 -0.00013019 -0.00059249 -0.00054118 0.00235728 -0.00002199 -0.00012802 -0.00001861 -0.00007002 0.00013863 0.00004695 0.00007485 0.00063511 0.00058689 -0.04318293 -0.17050197 -0.12811196 -0.00791193 -0.01571082 -0.01839659 -0.00024142 -0.00462868 -0.00402648 0.04778092 0.18080758 -0.00006278 -0.00007275 0.00000732 0.00048199 0.00027742 -0.00000533 0.00061637 -0.00140483 0.00186752 -0.00002864 0.00003654 -0.00000633 -0.00000432 0.00006488 0.00000715 -0.00005129 0.00007236 -0.00007196 0.00002451 0.00001448 -0.00000147 0.00002985 -0.00000407 -0.00000506 -0.00001496 0.00001118 0.00001225 -0.00000357 0.00001750 0.00001023 -0.00001068 0.00000400 -0.00000777 0.00000374 -0.00001799 -0.00000018 0.00000291 0.00000160 -0.00000123 -0.00535590 -0.01907654 -0.02071156 -0.00257414 -0.00066519 -0.00022782 0.00089057 -0.00026815 0.00013086 0.00212201 0.00379872 -0.00510966 -0.00000047 0.00013267 0.00022932 0.00007538 0.00005375 0.00028348 -0.00059399 -0.00135352 -0.00147691 -0.04442871 -0.12544423 -0.17729002 0.00173290 0.00383432 0.00418907 0.00064570 0.00264800 0.00252821 0.04712238 0.13707971 0.19564406 0.01289172 -0.01080512 -0.00403902 -0.00089113 0.00012936 -0.00021053 -0.00444933 -0.00161361 0.00099485 -0.01491376 -0.00723544 -0.00066631 -0.14339080 0.06880639 0.01394024 -0.00709758 -0.00018929 0.00072616 -0.00801141 0.03779360 0.00792539 0.00012181 0.00165167 -0.00022655 0.00286384 0.00164188 0.00003002 0.00055721 -0.00016607 -0.00011085 -0.00054979 0.00019394 0.00015823 -0.00031859 0.00035685 -0.00058536 -0.00233997 -0.00060503 0.00079575 -0.00093668 0.00052059 0.00007212 -0.00016943 -0.00047074 0.00001045 0.00013114 0.00018330 -0.00006470 0.00017113 -0.00011356 0.00007672 -0.00000233 0.00003156 0.00001941 -0.00001115 -0.00006259 -0.00006535 -0.00000150 0.00000480 -0.00001096 0.00018209 -0.00020367 -0.00010969 -0.00003272 -0.00004147 0.00011445 -0.00000170 0.00001652 -0.00001260 0.00000412 0.00001901 0.00000173 0.66246447 -0.03472236 -0.03377260 -0.00863932 -0.00624940 -0.00141127 -0.00270857 0.01140154 0.00263583 -0.00140862 -0.03274359 -0.01298044 -0.00037470 0.05375743 -0.20613610 -0.03971860 0.00114389 0.01411582 0.00091276 0.04393431 -0.02569584 -0.00456933 -0.00094141 -0.00055877 0.00115644 -0.01390135 -0.00088222 -0.00015878 0.00059216 0.00400271 0.00014245 -0.00025185 0.00016443 0.00011420 0.00530319 -0.00666145 -0.00125865 -0.00276036 0.00025113 0.00090614 0.00218255 -0.00123281 -0.00052168 -0.00001090 -0.00523531 0.00155942 -0.00171150 0.00374665 -0.00101450 -0.00047859 0.00028994 -0.00085232 0.00009078 0.00004636 0.00013005 0.00011992 0.00037355 0.00033770 -0.00000743 -0.00005257 0.00006711 -0.00063588 0.00072818 0.00092241 0.00009342 0.00025742 -0.00053286 0.00006712 -0.00003309 -0.00012733 -0.00002015 -0.00007829 -0.00006211 0.12959722 0.66838586 -0.00598777 -0.01011043 -0.00314420 -0.00074042 0.00022564 -0.00079132 0.00046037 0.00110901 0.00037249 -0.00823178 -0.00271558 -0.00196180 0.01585860 -0.03815824 -0.06687600 -0.00156666 0.00268292 0.00330863 0.00867803 -0.00315894 -0.00478506 0.00016119 0.00028719 0.00126811 -0.00199056 -0.00061193 -0.00053014 0.00015635 0.00017871 -0.00020999 -0.00019577 0.00010852 -0.00002684 0.00068129 -0.00062789 -0.00027903 -0.00057943 0.00013915 -0.00008392 0.00044685 -0.00001161 0.00026114 -0.00017407 -0.00219464 0.00012982 -0.00052054 0.00122089 -0.00019477 -0.00009977 0.00009953 -0.00018684 0.00002500 0.00002161 0.00003303 0.00003664 0.00007486 0.00007824 -0.00000366 -0.00000745 0.00000941 -0.00005241 0.00007112 0.00017148 0.00000951 0.00003004 -0.00006867 0.00001961 0.00000610 -0.00003867 0. -0.00000493 -0.00002478 0.02929602 0.11172533 0.24806901 0.01162533 0.00213385 0.00094258 -0.00149862 0.00266767 -0.00016514 -0.00003528 -0.00028751 0.00031782 -0.10087696 -0.01406853 0.00054419 -0.00994452 0.00514271 0.00262208 0.00048798 0.00055301 -0.00074735 0.00143834 -0.00178608 -0.00001417 0.00031154 -0.00035632 -0.00014287 0.00009210 -0.00017998 -0.00003252 -0.00019054 -0.00075024 0.00014214 0.00006173 -0.00002413 -0.00009280 -0.00021572 0.00069920 0.00006357 0.00000903 0.00012944 -0.00000901 0.00008681 -0.00000677 -0.00013910 -0.00083658 -0.00209426 0.00034851 -0.00038063 0.00134731 -0.00011599 0.00000707 -0.00001604 -0.00009263 0.00001849 0.00002478 0.00002914 0.00000705 0.00002562 0.00002348 -0.00000302 -0.00000037 0.00001181 0.00001982 0.00004177 0.00013047 0.00000486 0.00001834 -0.00004095 0.00001809 0.00001907 -0.00004661 -0.00000209 -0.00000367 -0.00001130 -0.15987974 0.04151433 0.01105897 0.47519578 0.00611797 -0.01577237 -0.00452797 -0.00034360 0.00194699 0.00058226 -0.00046871 -0.00024514 -0.00013415 -0.02557992 -0.13417521 -0.01616933 0.03297438 -0.02063041 -0.00657459 0.00132421 -0.00004005 -0.00028359 -0.00197230 -0.00232091 -0.00236528 -0.00003443 -0.00068752 -0.00013555 0.00078958 -0.00006148 0.00004063 -0.00017737 -0.00059919 0.00001252 0.00013493 -0.00003649 -0.00006265 -0.00014767 0.00088221 0.00027260 0.00016090 -0.00003189 -0.00024007 -0.00003776 -0.00020317 0.00005039 -0.00049281 -0.00121673 -0.00025709 -0.00031359 0.00086511 0.00005941 -0.00001430 0.00002758 -0.00006804 0.00000490 0.00000442 0.00001585 0.00000224 0.00002795 0.00003085 -0.00000138 -0.00000072 0.00001222 0.00000694 0.00004252 0.00004164 -0.00001194 0.00001864 -0.00002213 -0.00000203 -0.00000517 -0.00001955 0.00000163 -0.00000327 -0.00000668 0.00401231 -0.06690151 0.00194531 -0.01093523 0.44504690 -0.00258147 -0.00522431 0.00064890 0.00242943 0.00109184 0.00067178 0.00004322 -0.00011418 0.00020893 0.00058085 -0.01680809 -0.06535690 0.00878256 -0.00510543 0.00878373 0.00032339 -0.00097126 -0.00019417 -0.00102424 -0.00294104 0.00667130 0.00056624 -0.00017326 -0.00047483 0.00018910 0.00003270 -0.00023388 -0.00037240 -0.00058168 0.00006031 0.00007144 -0.00001994 -0.00005978 -0.00043416 0.00068956 -0.00071804 0.00015088 0.00006661 0.00048224 -0.00008475 -0.00015532 0.00008163 0.00027083 0.00018451 0.00040631 -0.00007951 -0.00019079 -0.00013438 0.00000359 0.00000076 0.00004474 -0.00000594 -0.00000623 -0.00000691 -0.00001509 -0.00000119 -0.00001178 0.00000078 0. -0.00000711 -0.00000190 -0.00001032 -0.00005623 0.00000189 -0.00000951 0.00000555 -0.00000932 -0.00000554 0.00001133 0.00000202 0.00000408 0.00000433 0.00423330 -0.00126850 -0.07676603 -0.00152559 0.00291891 0.42972611 0.00485401 0.00790826 0.00217775 0.00148591 -0.00019902 0.00042194 -0.00186173 -0.00045873 0.00022446 -0.01431223 0.00106743 0.00033306 0.02373839 -0.04282443 -0.00845031 0.00100466 -0.00304475 -0.00022772 -0.00775496 0.00123729 0.00050744 0.00031972 0.00028482 -0.00019449 -0.00249983 -0.00003339 0.00119419 -0.00049388 -0.00081352 -0.00005199 0.00013795 -0.00007474 -0.00007231 -0.00017222 0.00279388 0.00067783 0.00188582 0.00253008 -0.00025262 -0.00039465 0.00033341 0.00005802 0.00018995 0.00188674 -0.00038696 0.00059928 -0.00130860 0.00026498 0.00011408 -0.00008110 0.00023790 -0.00002458 -0.00001560 -0.00004136 -0.00002959 -0.00010132 -0.00008911 0.00000125 0.00001026 -0.00002095 0.00012743 -0.00016120 -0.00024116 -0.00001150 -0.00006733 0.00012501 -0.00001539 0.00000851 0.00004220 -0.00000017 0.00001941 0.00001969 -0.31974155 -0.21088982 -0.05075921 -0.02495238 -0.02971821 -0.00626851 0.33970209 0.01758030 0.00884399 0.00061355 0.00181247 -0.00045853 0.00084106 -0.00674830 -0.00214471 0.00113832 -0.00204454 0.00413818 -0.00000320 -0.02885089 -0.10598445 -0.02914850 0.00018082 -0.00459734 -0.00034749 -0.01772972 0.00986596 0.00293002 -0.00008849 0.00020281 -0.00047599 0.00618932 0.00155847 -0.00040208 -0.00000825 -0.00026355 0.00000172 0.00012237 -0.00004905 -0.00003753 -0.00163094 0.00011984 -0.00010054 0.00215420 -0.00199246 -0.00068470 -0.00143378 0.00089983 0.00027714 -0.00004220 0.00366334 -0.00075695 0.00123969 -0.00251570 0.00048120 0.00027489 -0.00019054 0.00048812 -0.00005675 -0.00002342 -0.00007162 -0.00005600 -0.00022094 -0.00020478 0.00000514 0.00002309 -0.00004933 0.00033167 -0.00045599 -0.00053638 -0.00004716 -0.00015035 0.00031467 -0.00003854 0.00001515 0.00008540 0.00001350 0.00005176 0.00003403 -0.24479534 -0.31802465 -0.06072447 -0.01930480 0.00097455 -0.00182796 0.28110295 0.40775422 0.00310787 0.00206252 0.00236520 0.00024305 -0.00051759 0.00030282 -0.00099723 -0.00057353 -0.00021838 0.00018969 0.00061161 0.00158035 -0.00767384 -0.03136047 0.01487903 0.00051375 -0.00101829 -0.00065255 -0.00416253 0.00306137 -0.00191498 -0.00041905 0.00004345 -0.00025934 0.00237033 0.00074423 0.00001611 0.00022674 0.00051639 -0.00000638 0.00005005 -0.00002499 0.00003932 -0.00021578 -0.00099582 0.00050453 0.00036624 -0.00090970 0.00008848 -0.00025384 0.00008183 -0.00009939 0.00002905 0.00144310 -0.00016565 0.00036214 -0.00078367 0.00013933 0.00005750 -0.00004516 0.00012272 -0.00001575 -0.00001310 -0.00002186 -0.00001829 -0.00004774 -0.00004842 -0.00000161 0.00000329 -0.00001043 0.00003661 -0.00005378 -0.00011008 -0.00000619 -0.00002485 0.00004905 -0.00001239 -0.00000488 0.00002677 -0.00000074 0.00000588 0.00001243 -0.05935614 -0.06045692 -0.08325241 -0.00317913 -0.00241647 0.01298373 0.06463864 0.09133333 0.05174840 -0.00289692 0.00015945 -0.00024690 -0.00030772 -0.00083151 -0.00012552 0.00028026 -0.00000398 -0.00015026 0.00321495 -0.01609199 0.00945768 -0.00467669 0.00387951 0.00240041 0.00002310 0.00028540 0.00008365 0.00069671 0.00002642 0.00162662 -0.00023022 0.00009782 -0.00002018 -0.00051545 0.00001609 0.00000099 0.00011459 0.00038553 0.00001228 -0.00002742 0.00001199 0.00000923 0.00020550 -0.00035181 -0.00017754 0.00003603 0.00002848 0.00008981 0.00001241 0.00003574 0.00006940 0.00010221 0.00051679 -0.00004912 0.00013639 -0.00026603 0.00001115 -0.00000486 0.00001154 0.00001169 -0.00000277 -0.00000497 -0.00000519 0.00000175 -0.00000562 -0.00000207 -0.00000051 -0.00000263 -0.00000514 0.00000506 -0.00001492 -0.00002819 -0.00000059 -0.00000514 0.00001324 -0.00000117 -0.00000328 0.00000949 -0.00000009 0.00000039 0.00000349 -0.01066342 0.02054274 -0.02575069 -0.08360424 0.02227238 -0.02543176 -0.00104559 0.00113272 0.00195472 0.58574299 -0.00220909 -0.00032155 -0.00015246 -0.00026889 -0.00048722 -0.00011956 0.00018104 -0.00001824 -0.00012904 -0.00126959 -0.03555520 0.01518443 -0.00184559 0.00300640 0.00115366 0.00004422 0.00033978 0.00008244 0.00120043 -0.00020288 -0.00014215 -0.00012963 0.00003934 0.00005273 -0.00050511 -0.00006874 0.00002377 0.00006869 0.00028087 0.00000273 -0.00001576 0.00000332 0.00000842 0.00022319 -0.00027964 -0.00003461 0.00003178 0.00002610 -0.00000933 0.00001991 0.00004676 0.00002679 0.00001164 0.00021674 -0.00006210 0.00007598 -0.00010667 0.00000882 -0.00000552 0.00000037 -0.00000292 -0.00000032 -0.00000046 -0.00000223 0.00000524 -0.00000138 0.00000101 0.00000202 -0.00000299 -0.00000290 -0.00000036 -0.00001074 -0.00000404 -0.00000117 -0.00000168 0.00000448 0.00000070 0.00000020 0.00000389 -0.00000077 0.00000003 0.00000059 0.01841124 -0.00777908 0.00551431 0.01415965 -0.10675592 0.04578186 -0.00371730 -0.00208131 -0.00088662 0.02152583 0.51362804 -0.00054367 0.00102197 -0.00024577 -0.00004370 -0.00081217 0.00017234 -0.00044770 -0.00013663 -0.00005890 0.00268977 -0.00230196 0.00468825 0.00213483 -0.00301010 -0.00118385 0.00025204 -0.00017302 0.00003859 -0.00062578 0.00015538 -0.00043916 -0.00015891 -0.00000067 0.00001583 0.00028395 -0.00006829 -0.00001607 0.00004093 0.00022581 -0.00000862 0.00001680 -0.00000714 -0.00000377 -0.00008415 -0.00018259 0.00005310 -0.00002026 -0.00001929 -0.00001321 -0.00011004 0.00008688 0.00011350 0.00006103 0.00094873 -0.00011983 0.00026084 -0.00052391 0.00006527 0.00001644 -0.00000005 0.00006278 -0.00000934 -0.00001011 -0.00001434 -0.00000469 -0.00002585 -0.00002192 0.00000408 0.00000342 -0.00000713 0.00003626 -0.00005746 -0.00009292 -0.00000633 -0.00001933 0.00004448 -0.00000704 -0.00000471 0.00002113 0.00000220 0.00000485 0.00000629 -0.01091994 0.00143050 0.00072340 -0.01523077 0.04248207 -0.11644056 0.00265457 0.00182518 0.00066820 -0.02021144 0.06779895 0.52165059 0.00021254 -0.00006505 0.00017137 0.00007528 0.00014620 -0.00002015 0.00010856 0.00001233 0.00002942 0.00041290 0.00215963 -0.00100115 0.00032251 -0.00025784 -0.00017480 -0.00001476 -0.00005041 0.00001053 -0.00009542 -0.00001098 -0.00010772 0.00004988 -0.00000888 0.00000863 0.00004566 0.00001852 -0.00000643 -0.00002093 -0.00006261 0.00000067 0.00000286 -0.00000101 -0.00000213 -0.00002719 0.00004583 0.00001273 -0.00000465 -0.00000409 -0.00000546 0.00001388 -0.00000568 -0.00003815 0.00000741 -0.00012507 0.00001794 -0.00003393 0.00004935 -0.00000651 -0.00000040 -0.00000644 -0.00000479 0.00000096 0.00000182 0.00000208 0.00000055 0.00000222 0.00000134 0.00000021 -0.00000005 0.00000160 -0.00000925 0.00000941 0.00001344 0.00000293 0.00000242 -0.00000777 0.00000117 0.00000141 -0.00000233 -0.00000058 -0.00000049 -0.00000035 -0.00054507 0.00011954 0.00055875 0.00309720 0.00719980 0.00139008 -0.00026335 0.00100263 -0.00031594 -0.12039150 -0.11922686 -0.02515544 0.12742064 -0.00097710 0.00065253 -0.00003090 -0.00007385 -0.00043944 0.00002227 -0.00005048 -0.00006407 -0.00006621 0.00016658 -0.00436006 0.00369778 -0.00014619 0.00023553 0.00007933 0.00008469 0.00002077 0.00003646 0.00005299 -0.00000947 0.00001815 -0.00008972 0.00002467 0.00001452 -0.00005497 -0.00002658 0.00000570 0.00003172 0.00016306 -0.00000200 0.00000004 -0.00000101 0.00000260 0.00002867 -0.00014609 -0.00000315 0.00001208 0.00000211 -0.00000239 -0.00002859 0.00003953 0.00003405 0.00004385 0.00041767 -0.00004211 0.00011380 -0.00023113 0.00002190 0.00000768 -0.00000051 0.00002522 -0.00000311 -0.00000377 -0.00000584 -0.00000213 -0.00001064 -0.00000889 0.00000078 0.00000088 -0.00000257 0.00000993 -0.00001888 -0.00003273 -0.00000091 -0.00000762 0.00001545 -0.00000218 -0.00000134 0.00000822 0.00000073 0.00000183 0.00000252 -0.00191884 -0.00130822 -0.00068956 -0.01019122 -0.01817358 -0.00486756 0.00005575 0.00164947 -0.00014484 -0.11733828 -0.23485400 -0.04076011 0.12868399 0.25542234 0.00075128 -0.00025833 0.00008570 0.00000180 0.00033355 -0.00002196 0.00006218 0.00002631 0.00002842 -0.00097533 0.00439958 -0.00196537 0.00022397 -0.00028669 -0.00006342 -0.00003417 0.00000746 -0.00002896 -0.00004818 -0.00001017 -0.00004906 0.00006025 -0.00002112 -0.00000225 0.00004249 0.00002025 -0.00000544 -0.00002235 -0.00011403 0.00000260 0.00000122 0.00000008 -0.00000379 -0.00001997 0.00010112 0.00000533 -0.00000353 -0.00000174 0.00000416 0.00002305 -0.00003543 -0.00003357 -0.00003835 -0.00032005 0.00005230 -0.00008670 0.00018171 -0.00002404 -0.00000297 -0.00000087 -0.00001824 0.00000247 0.00000323 0.00000446 0.00000115 0.00000747 0.00000592 -0.00000086 -0.00000039 0.00000218 -0.00000893 0.00001778 0.00002584 0.00000137 0.00000536 -0.00001312 0.00000173 0.00000116 -0.00000585 -0.00000093 -0.00000126 -0.00000209 0.00029727 0.00015262 0.00057857 0.01179249 0.01738401 0.00287627 -0.00001774 -0.00020368 -0.00013232 -0.02544928 -0.04247692 -0.05634473 0.02866221 0.04278826 0.05821978 -0.00019469 -0.00014538 -0.00005793 -0.00000775 0.00003487 -0.00000256 0.00009971 0.00002957 -0.00000425 0.00043628 0.00017932 0.00019081 -0.00069846 0.00042221 -0.00018489 -0.00006180 0.00002145 0.00002269 0.00016368 0.00003911 0.00011982 -0.00000780 0.00001482 -0.00000412 -0.00005337 0.00001832 0.00001085 0.00001259 -0.00000182 0.00000018 -0.00000766 0.00000176 0.00000005 0.00002894 0.00000859 -0.00001365 0.00000737 0.00000303 0.00000280 0.00001917 -0.00000708 -0.00000755 -0.00000367 -0.00008296 0.00001807 -0.00002195 0.00005414 -0.00001022 -0.00000285 0.00000144 -0.00000818 0.00000159 0.00000175 0.00000217 0.00000100 0.00000272 0.00000265 0.00000013 -0.00000032 0.00000110 -0.00000247 0.00000541 0.00000866 0.00000089 0.00000213 -0.00000415 0.00000080 0.00000078 -0.00000283 -0.00000016 -0.00000095 -0.00000062 0.00130198 0.00073457 -0.00119571 -0.00771671 0.00081137 0.00037536 -0.00003795 0.00046884 0.00011527 -0.31073859 0.05467712 0.01920975 -0.01352383 0.00392572 0.00148313 0.33591413 0.00070206 0.00020487 -0.00002958 0.00005783 0.00006844 0.00007076 -0.00021216 -0.00005176 0.00001167 -0.00087944 0.00196160 -0.00062111 0.00151596 -0.00165714 -0.00065940 0.00005575 -0.00011258 -0.00001746 -0.00040768 0.00007391 -0.00037185 0.00001547 -0.00002772 -0.00000865 0.00021304 -0.00001273 -0.00001329 -0.00001764 -0.00005542 -0.00000360 0.00001109 -0.00000423 -0.00000193 -0.00007270 0.00005879 0.00005470 -0.00001279 -0.00001202 -0.00002406 -0.00003407 0.00000512 0.00000689 -0.00002435 0.00005358 -0.00002147 0.00001539 -0.00002892 0.00001610 0.00000736 -0.00000240 0.00001228 -0.00000196 -0.00000215 -0.00000212 -0.00000253 -0.00000482 -0.00000465 -0.00000025 -0.00000057 -0.00000220 0.00001004 -0.00000844 -0.00001270 -0.00000243 -0.00000311 0.00000741 -0.00000186 -0.00000037 0.00000158 0.00000066 0.00000124 0.00000008 -0.00341072 -0.00194886 0.00393254 0.02485026 -0.00732007 0.00093766 0.00093592 0.00103641 -0.00053623 0.05303881 -0.05651856 -0.00646091 -0.02677301 0.00724055 0.00260085 -0.05923191 0.05962185 -0.00038221 -0.00029386 0.00004175 -0.00001711 0.00002622 -0.00005234 0.00015729 0.00004802 -0.00001844 0.00094673 -0.00138759 0.00047454 -0.00152293 0.00130309 0.00048879 -0.00010521 0.00007097 0.00003569 0.00030790 0.00007364 0.00029176 0.00000904 0.00002919 -0.00000493 -0.00014157 0.00002175 0.00000462 0.00000723 0.00000687 0.00000039 -0.00001215 0.00000496 0.00000286 0.00005624 -0.00000859 -0.00003060 0.00001208 0.00000829 0.00000825 0.00003179 -0.00001468 -0.00000885 0.00001779 -0.00013026 0.00001726 -0.00003913 0.00006888 -0.00001506 -0.00000641 0.00000396 -0.00001348 0.00000217 0.00000203 0.00000270 0.00000233 0.00000537 0.00000479 0.00000053 -0.00000115 0.00000130 -0.00000755 0.00001113 0.00001593 0.00000115 0.00000353 -0.00000820 0.00000158 -0.00000029 -0.00000264 -0.00000033 -0.00000138 -0.00000109 0.00187814 0.00250180 -0.00347356 -0.02420677 0.00443626 -0.00050463 -0.00096170 -0.00024858 0.00037952 0.02161446 -0.00584820 -0.04902350 -0.00612869 0.00164073 -0.00029759 -0.02092077 0.00282290 0.05014934 0.00007943 0.00001552 0.00007689 0.00000024 0.00000406 0.00001929 -0.00002244 0.00000840 -0.00001151 0.00012118 -0.00048437 0.00075044 0.00009436 -0.00018734 -0.00008331 -0.00000559 0.00000054 0.00000833 -0.00002404 0.00000048 0.00003868 0.00000987 -0.00000315 -0.00001862 0.00002415 -0.00000379 -0.00000281 -0.00000874 -0.00001662 0.00000413 0.00000151 -0.00000044 0.00000233 -0.00002529 0.00002170 0.00000060 0.00000257 -0.00000208 -0.00000073 -0.00000402 0. 0.00000252 -0.00000146 0.00000333 -0.00000545 -0.00000031 -0.00000208 -0.00000142 0.00000050 -0.00000168 0.00000350 0.00000016 0.00000069 0.00000081 -0.00000034 -0.00000103 -0.00000117 0.00000163 -0.00000182 -0.00000023 0.00000039 -0.00000205 -0.00000293 -0.00000105 -0.00000011 0.00000152 -0.00000017 -0.00000011 -0.00000108 0.00000074 -0.00000052 -0.00000027 0.00071548 -0.00039962 -0.00089724 -0.00009694 -0.00384103 -0.00904554 -0.00017019 -0.00003531 0.00010298 -0.06099747 0.01926032 0.05263339 0.00379967 -0.00437846 -0.01634272 -0.00367211 0.01034974 0.02955194 0.05990527 0.00008190 0.00009462 -0.00006761 0.00003391 0.00000320 0.00002933 0.00002131 -0.00000296 0.00000736 0.00027581 0.00248717 -0.00001534 0.00004011 0.00009604 -0.00006995 0.00000290 0.00000822 -0.00001773 -0.00001798 -0.00006105 0.00003493 0.00000379 -0.00000591 -0.00000161 -0.00000454 0.00000082 0.00001455 -0.00000287 -0.00001934 -0.00000105 0.00000200 -0.00000060 -0.00000071 -0.00000638 0.00001924 -0.00000648 -0.00000201 0.00000213 0.00000225 0.00000500 -0.00000136 -0.00000797 -0.00000612 -0.00004712 -0.00000011 -0.00000825 0.00001910 0.00000139 0.00000018 -0.00000556 -0.00000311 0.00000032 -0.00000047 0.00000139 0.00000034 0.00000198 0.00000086 0.00000241 0.00000086 0.00000020 -0.00000078 0.00000378 0.00000588 0.00000076 0.00000126 -0.00000152 -0.00000102 -0.00000010 -0.00000181 0.00000067 -0.00000019 0.00000114 -0.00126303 0.00073394 0.00011031 -0.00496677 0.00594846 0.02247165 0.00009510 0.00017487 -0.00002982 0.01864468 -0.07701233 -0.08316903 0.00745134 -0.00721186 -0.02450102 0.00014989 -0.00262854 -0.00502433 -0.02151019 0.08026421 0.00002656 0.00011889 -0.00004304 -0.00006692 0.00002947 -0.00003322 0.00000017 0.00001330 -0.00000601 -0.00043194 -0.00139144 0.00118622 -0.00055711 0.00045290 0.00001452 -0.00003139 0.00006310 0.00001039 0.00011256 0.00006426 -0.00002512 -0.00000554 0.00000692 0.00000146 -0.00004949 -0.00000091 0.00000360 0.00000516 0.00000344 -0.00000068 -0.00000395 0.00000170 0.00000191 0.00002055 -0.00000150 0.00000344 0.00000021 0.00000626 -0.00000676 0.00000711 -0.00000886 -0.00000590 -0.00001778 -0.00006321 0.00000878 -0.00001832 0.00005004 -0.00000571 -0.00000194 0.00000263 -0.00000428 0.00000123 0.00000210 0.00000140 0.00000089 0.00000116 0.00000138 -0.00000042 -0.00000020 0.00000216 -0.00000251 0.00000397 0.00000572 -0.00000012 0.00000051 -0.00000237 0.00000054 0.00000005 -0.00000180 0.00000052 0.00000014 -0.00000052 0.00211850 -0.00033406 -0.00044217 0.00304682 -0.00701858 -0.01857472 -0.00086476 -0.00028451 -0.00001112 0.05220261 -0.08098812 -0.27374030 0.00119261 -0.00084401 -0.00351707 -0.00022942 -0.00016294 -0.00042224 -0.05539488 0.08631967 0.29872372 -0.00376313 -0.00005582 -0.00025052 0.00039151 -0.00083754 0.00007309 0.00018399 0.00007679 -0.00018860 0.00352678 -0.01063938 -0.01688409 -0.00474966 0.00389965 -0.00092800 -0.00044949 0.00004128 0.00020412 0.00081211 0.00103626 -0.00133539 -0.00010704 0.00024249 0.00015869 -0.00033543 0.00000617 0.00010558 0.00011103 0.00034912 -0.00004929 -0.00005990 0.00001827 0.00003615 0.00022049 -0.00033445 0.00005266 0.00002837 0.00001174 -0.00004492 0.00001671 -0.00001050 0.00004976 0.00021426 0.00067666 0.00003093 0.00012284 -0.00035477 -0.00000999 0.00000647 0.00001007 0.00002935 -0.00000344 -0.00000689 -0.00000645 -0.00000644 -0.00000684 -0.00000804 0.00000028 -0.00000073 -0.00000548 0.00000172 -0.00000366 -0.00003561 0.00000065 -0.00000781 0.00000966 -0.00000580 -0.00000487 0.00000871 -0.00000112 0.00000051 0.00000322 -0.00795250 0.00721479 0.03332059 -0.07918907 0.00638810 0.02745895 -0.00196210 0.00168135 -0.00080012 0.00293684 -0.00221774 -0.00918183 0.00032911 -0.00023255 0.00043384 0.00043886 -0.00071460 -0.00053111 -0.00000661 0.00162192 -0.00182813 0.59320378 -0.00339749 0.00002947 -0.00075929 0.00071231 -0.00067150 0.00037024 0.00002442 -0.00004460 0.00002393 0.00066888 -0.02187106 -0.02917294 -0.00050528 0.00146371 0.00013263 0.00000022 -0.00019916 0.00011271 0.00057293 -0.00024384 0.00018703 0.00003045 0.00008679 0.00000795 -0.00017503 -0.00003136 0.00001605 -0.00001893 0.00018733 -0.00000600 -0.00000624 -0.00000046 -0.00000141 0.00004650 -0.00017947 -0.00005209 0.00003552 0.00000742 0.00000203 -0.00004743 0.00003923 0.00003706 0.00024777 0.00080962 0.00000038 0.00016882 -0.00050917 0.00000732 0.00000895 -0.00000890 0.00005235 -0.00000647 -0.00000802 -0.00001260 -0.00000582 -0.00001650 -0.00001856 0.00000284 0.00000240 -0.00000611 0.00000162 -0.00003155 -0.00006584 0.00000187 -0.00001271 0.00002168 -0.00000640 -0.00000293 0.00001772 0.00000177 0.00000753 0.00000558 0.01110877 -0.00282282 -0.00802158 0.00331919 -0.07321499 -0.02322395 -0.00203156 -0.00120932 -0.00014197 -0.00456066 0.00691695 0.02189134 -0.00017228 0.00061668 -0.00002460 -0.00030531 0.00063477 -0.00043169 0.00160055 -0.00345591 0.00437268 0.00576904 0.56944583 -0.00012643 -0.00106170 -0.00037591 -0.00028829 0.00060573 -0.00032257 0.00053410 0.00020309 0.00003252 -0.00302984 -0.01030143 -0.00690233 -0.00255740 0.00390224 -0.00013531 -0.00016317 0.00038038 0.00006431 0.00107853 -0.00005408 -0.00022325 0.00002117 0.00001836 0.00005013 -0.00043746 0.00002591 0.00006974 0.00002633 -0.00006931 0.00000654 -0.00002428 0.00000836 0.00000634 0.00018640 0.00003646 -0.00001917 0.00003516 0.00001040 -0.00001071 0.00012346 -0.00004220 -0.00009479 -0.00012123 -0.00082046 0.00008023 -0.00020391 0.00048864 -0.00004899 -0.00002193 0.00000287 -0.00006823 0.00000873 0.00000860 0.00001451 0.00000785 0.00002460 0.00002324 -0.00000254 -0.00000379 0.00000645 -0.00002587 0.00005379 0.00010325 0.00000687 0.00001867 -0.00004185 0.00000639 0.00000528 -0.00002143 -0.00000458 -0.00000851 -0.00001040 0.01933819 -0.00384569 -0.00776829 0.01412478 -0.02043389 -0.15138425 -0.00405592 -0.00331426 -0.00026394 0.00472135 -0.00302232 -0.02917980 0.00037132 -0.00114877 0.00087842 0.00044950 -0.00170630 0.00171579 -0.00099182 0.00280119 -0.00204737 0.01691222 -0.04487178 0.45866691 -0.00011376 -0.00014042 0.00001017 -0.00002559 0.00004303 -0.00001798 0.00010999 0.00002174 0.00003143 0.00032861 0.00048126 0.00026582 -0.00042361 0.00017350 0.00032656 -0.00004468 0.00001082 -0.00001426 0.00010018 0.00004853 -0.00004536 0.00000360 0.00000952 0.00000692 -0.00002659 0.00001434 0.00000442 0.00000373 -0.00001033 0.00000009 -0.00000506 0.00000037 -0.00000133 0.00001751 0.00001297 -0.00000048 0.00000942 0.00000008 -0.00000367 0.00002028 0.00000262 -0.00001050 -0.00000489 -0.00007824 0.00001283 -0.00001618 0.00004166 -0.00000879 -0.00000198 0.00000040 -0.00000730 0.00000101 0.00000159 0.00000162 0.00000123 0.00000205 0.00000197 -0.00000004 0.00000084 0.00000112 -0.00000566 0.00000549 0.00000809 0.00000130 0.00000176 -0.00000450 0.00000150 0.00000140 -0.00000140 -0.00000089 -0.00000104 -0.00000055 0.00090737 -0.00004535 0.00076877 -0.00512788 0.00031652 -0.00027854 0.00012301 0.00062248 0.00028755 0.00041020 -0.00015164 -0.00043238 0.00005858 -0.00003785 0.00010193 0.00001931 -0.00028388 0.00042798 0.00015535 0.00001000 -0.00001489 -0.30957679 0.06113017 0.02806106 0.33412608 0.00044558 -0.00003765 0.00005487 0.00004817 0.00012084 0.00005578 -0.00010770 -0.00001844 0.00001065 -0.00050617 0.00084108 0.00083542 0.00066499 -0.00080272 0.00006223 0.00002850 -0.00006902 -0.00003040 -0.00024881 -0.00005897 0.00021549 0.00004189 -0.00002628 -0.00004003 0.00010996 0.00000555 -0.00001928 -0.00002778 -0.00007474 0.00000295 0.00000814 -0.00000221 -0.00000446 -0.00005382 0.00007686 -0.00000760 0.00000757 -0.00000438 0.00001230 -0.00001488 -0.00000815 0.00000032 -0.00000939 -0.00004676 -0.00000997 -0.00001414 0.00002067 0.00000750 0.00000116 -0.00000007 0.00000244 -0.00000050 -0.00000027 0.00000075 -0.00000083 -0.00000030 -0.00000033 -0.00000014 -0.00000070 -0.00000013 0.00000207 -0.00000027 -0.00000223 -0.00000187 0.00000013 0.00000127 -0.00000105 -0.00000146 -0.00000080 0.00000100 0.00000058 -0.00000017 -0.00233506 0.00012061 -0.00190793 0.01100385 -0.00345278 -0.00298627 0.00032473 0.00071205 0.00078018 -0.00084415 0.00000105 0.00084642 -0.00006628 -0.00000144 -0.00000487 -0.00016042 0.00036366 -0.00000678 -0.00007352 -0.00012914 0.00000695 0.06038138 -0.06131705 -0.00369073 -0.06539569 0.06102195 0.00061898 0.00035139 0.00012736 0.00008863 0.00003966 0.00010465 -0.00022959 -0.00006917 0.00005038 -0.00118014 0.00133628 0.00173750 0.00216592 -0.00187147 0.00008601 0.00014519 -0.00015051 -0.00005153 -0.00054727 -0.00028786 0.00033000 0.00003804 -0.00006520 -0.00005774 0.00022045 -0.00000861 -0.00003865 -0.00004698 -0.00007507 0.00000964 0.00002271 -0.00000760 -0.00001152 -0.00011530 0.00008213 -0.00000614 -0.00001662 -0.00000344 0.00001349 -0.00004732 0.00001948 0.00001170 -0.00000696 0.00011458 -0.00002946 0.00003641 -0.00008372 0.00001939 0.00000724 -0.00000570 0.00001774 -0.00000282 -0.00000162 -0.00000269 -0.00000171 -0.00000705 -0.00000601 -0.00000068 0.00000118 -0.00000175 0.00000694 -0.00001478 -0.00002099 -0.00000250 -0.00000491 0.00000941 -0.00000111 0.00000009 0.00000386 0.00000024 0.00000295 0.00000076 -0.00361245 -0.00081226 -0.00587751 0.03263120 -0.00615765 -0.00668811 0.00140339 0.00038667 0.00083664 0.00030501 -0.00043432 0.00244479 -0.00002174 0.00010849 -0.00009023 -0.00053919 0.00039060 -0.00007310 -0.00021710 -0.00018199 0.00026212 0.02467699 -0.00392717 -0.04772328 -0.02956312 0.00632493 0.05233425 0.00033352 0.00009314 0.00011507 -0.00015557 0.00006237 -0.00014052 0.00007666 -0.00003106 0.00003934 0.00061353 0.00138216 0.00129419 0.00027572 -0.00021341 0.00001617 0.00006157 0.00004897 -0.00000630 -0.00005334 -0.00007796 0.00007536 -0.00002737 -0.00002398 0.00001079 -0.00000947 -0.00000017 -0.00001053 0.00000871 0.00000855 0.00000131 0.00000525 -0.00000203 -0.00000007 0.00000407 -0.00001918 -0.00000283 -0.00001122 0.00000125 0.00000474 0.00000445 0.00001384 -0.00000091 -0.00005132 -0.00010556 -0.00000116 -0.00000921 0.00005860 -0.00000004 0.00000039 -0.00000102 -0.00000445 0.00000111 0.00000189 0.00000104 0.00000210 0.00000015 0.00000097 -0.00000073 -0.00000006 0.00000054 0.00000249 -0.00000306 0.00000745 0.00000139 0.00000022 -0.00000025 0.00000125 0.00000260 -0.00000286 0.00000042 0.00000075 -0.00000144 -0.00084176 0.00048171 -0.00018067 0.00222652 0.00509548 0.00130123 -0.00058520 0.00072835 0.00097254 0.00023790 -0.00001789 -0.00029703 0.00003334 0.00009872 -0.00013294 0.00005733 -0.00005459 0.00000020 -0.00004177 0.00010070 -0.00002226 -0.12811500 -0.12255088 -0.02755182 -0.01357769 -0.02611545 -0.00559892 0.13603074 -0.00063566 0.00036864 -0.00002338 0.00002079 -0.00019205 0.00002553 0.00001041 -0.00002782 -0.00001909 -0.00028241 -0.00056946 -0.00306951 0.00004400 0.00015871 -0.00005291 0.00003424 -0.00001226 0.00001261 0.00001270 -0.00002743 0.00000176 -0.00002607 0.00001542 0.00001067 -0.00003706 -0.00001151 -0.00000531 0.00000790 0.00007372 -0.00000515 0.00000011 -0.00000095 0.00000034 0.00001327 -0.00006559 -0.00000138 0.00001627 0.00000523 0.00000131 -0.00001479 0.00001806 0.00002272 0.00003197 0.00020762 -0.00000055 0.00005397 -0.00012223 0.00000567 0.00000269 -0.00000002 0.00001275 -0.00000179 -0.00000173 -0.00000258 -0.00000068 -0.00000514 -0.00000414 0.00000003 0.00000063 -0.00000101 0.00000597 -0.00001073 -0.00001656 -0.00000019 -0.00000482 0.00000729 -0.00000119 -0.00000041 0.00000439 -0.00000053 0.00000173 0.00000019 -0.00172093 -0.00137154 -0.00019276 -0.00380602 -0.00898894 -0.00092211 -0.00003753 0.00132023 0.00105265 0.00004801 0.00017078 0.00072087 0.00005476 0.00035106 -0.00004575 0.00001866 0.00002922 -0.00001589 0.00016672 0.00013686 -0.00002598 -0.12077828 -0.22773344 -0.03934522 0.00446949 0.00770407 0.00201750 0.13319262 0.24519423 -0.00160323 0.00048026 -0.00009268 0.00027880 -0.00046291 0.00014556 -0.00008502 -0.00005541 -0.00004099 0.00121722 -0.00363134 -0.00601016 -0.00020789 0.00049728 0.00007666 -0.00000027 -0.00012651 0.00005452 0.00005319 0.00000466 -0.00002798 -0.00002057 0.00005697 0.00001883 -0.00003393 -0.00001757 0.00000035 0.00000543 0.00013530 -0.00001055 -0.00000337 -0.00000035 0.00000349 0.00000734 -0.00012179 -0.00000427 0.00002357 0.00000264 -0.00000246 -0.00004031 0.00002483 0.00003697 0.00013521 0.00056069 -0.00001024 0.00012399 -0.00033303 0.00001262 0.00001047 -0.00000187 0.00003755 -0.00000478 -0.00000584 -0.00000835 -0.00000520 -0.00001258 -0.00001281 0.00000119 -0.00000006 -0.00000428 0.00000752 -0.00002089 -0.00004810 -0.00000081 -0.00000908 0.00001820 -0.00000460 -0.00000306 0.00001089 0.00000217 0.00000275 0.00000459 -0.00105424 -0.00143658 0.00038456 -0.01606587 -0.02385796 -0.00566802 0.00011479 0.00100312 0.00044749 -0.00043437 -0.00031265 0.00135258 0.00005132 0.00032013 -0.00026658 -0.00011972 0.00005507 -0.00008473 0.00022984 0.00000339 0.00027000 -0.02641299 -0.03752362 -0.05476879 0.00149456 0.00329723 -0.00010931 0.02848317 0.04458272 0.05936447 0.00006754 0.00004488 -0.00004851 -0.00000663 0.00001412 0.00000452 -0.00001351 -0.00001534 0.00000753 0.00005106 -0.00000469 -0.00065623 0.00010705 -0.00023442 0.00000025 0.00001970 -0.00000980 -0.00000736 -0.00003440 0.00001397 -0.00002496 0.00000111 -0.00000246 0.00000502 0.00001813 -0.00000416 -0.00000958 -0.00000225 -0.00000341 -0.00000043 0.00000186 -0.00000071 -0.00000137 -0.00001182 0.00000475 0.00000862 0.00000025 -0.00000259 -0.00000664 -0.00000330 -0.00000059 0.00000142 0.00000577 0.00001468 0.00000408 0.00000067 -0.00001304 -0.00000246 0.00000016 -0.00000156 0.00000226 -0.00000001 -0.00000061 -0.00000046 -0.00000017 -0.00000096 -0.00000093 0.00000094 -0.00000157 0.00000015 -0.00000121 -0.00000211 -0.00000450 0.00000014 0.00000027 0.00000223 -0.00000085 -0.00000088 0.00000020 0.00000007 -0.00000031 0.00000113 0.00043463 -0.00059251 0.00060475 -0.00020218 -0.00575019 0.00457958 -0.00013438 0.00009103 -0.00008774 0.00027165 0.00058459 0.00110484 -0.00005094 0.00024672 -0.00008884 0.00017178 -0.00017411 0.00018986 0.00047658 -0.00014487 0.00032539 -0.06621228 0.04936398 -0.04395184 -0.00490990 0.02266551 -0.02109905 0.00495196 -0.01212495 0.01291392 0.06538831 0.00010885 0.00000652 0.00014204 -0.00002347 0.00006694 -0.00000115 0.00000764 0.00000531 -0.00001193 -0.00004927 0.00159588 -0.00024715 -0.00021642 0.00032054 0.00002629 -0.00002565 0.00002437 -0.00000880 0.00001587 -0.00001379 0.00001132 0.00000507 -0.00000294 -0.00000086 -0.00001693 0.00000821 0.00000581 -0.00000264 -0.00002176 0.00000034 -0.00000085 0.00000067 0.00000152 0.00000203 0.00002351 -0.00000149 0.00000055 0.00000391 0.00000336 0.00000553 -0.00000469 -0.00000538 -0.00001812 -0.00008354 -0.00000147 -0.00002236 0.00005493 -0.00000204 0.00000009 0.00000012 -0.00000490 0.00000091 0.00000136 0.00000131 0.00000046 0.00000162 0.00000143 0.00000053 0.00000045 0.00000048 -0.00000057 0.00000868 0.00000980 -0.00000044 0.00000190 -0.00000282 0.00000079 0.00000092 -0.00000247 0.00000103 -0.00000630 0.00000357 0.00003013 0.00022893 0.00014917 -0.00350213 0.00675680 -0.00898116 -0.00036152 0.00004437 0.00011318 0.00043495 -0.00014978 -0.00202184 0.00006520 0.00015241 -0.00005901 0.00002686 -0.00012355 -0.00000181 -0.00003191 0.00057390 -0.00044961 0.04867646 -0.18627717 0.12630663 0.00025200 -0.00453883 0.00333944 0.00821315 -0.01667902 0.01703388 -0.05364990 0.19790688 0.00000007 0.00004938 0.00004265 0.00000463 -0.00006678 0.00002100 -0.00005551 -0.00003569 -0.00001139 0.00058021 0.00139233 0.00191793 0.00045432 -0.00034256 -0.00003164 0.00002307 -0.00002026 -0.00000190 -0.00008157 -0.00004767 -0.00007690 -0.00002131 -0.00000895 0.00000628 0.00003889 0.00000497 -0.00000289 0.00000556 0.00001726 0.00000084 0.00000281 -0.00000142 -0.00000079 -0.00000831 -0.00001338 0.00000899 -0.00000998 -0.00000277 -0.00000789 -0.00001286 0.00000962 0.00001089 -0.00000086 0.00007030 -0.00002184 0.00002032 -0.00003680 0.00000846 0.00000535 -0.00000050 0.00000532 -0.00000095 0.00000032 -0.00000142 -0.00000046 -0.00000279 -0.00000270 -0.00000064 -0.00000209 -0.00000042 0.00000358 -0.00000567 -0.00001202 -0.00000156 -0.00000102 0.00000531 -0.00000068 -0.00000016 0.00000115 0.00000214 -0.00000204 0.00000161 -0.00250320 0.00075122 -0.00015777 -0.00615317 0.02098982 -0.01988951 0.00084902 0.00026766 0.00017300 0.00209040 -0.00346429 -0.00555611 0.00009063 -0.00007160 0.00028027 0.00000091 -0.00015844 0.00021934 -0.00061307 0.00150094 -0.00141996 -0.04367095 0.12364447 -0.15942440 0.00077192 -0.00346516 0.00284631 0.00230052 -0.00503332 0.00484133 0.04645573 -0.13565000 0.17628011 -0.03209376 -0.03749609 0.00237096 -0.00254385 -0.00556008 -0.00027326 -0.33385231 0.06058955 0.01181420 -0.00672832 0.00050049 -0.00450775 -0.00058555 0.01088522 0.00172006 0.00128409 0.00129245 -0.00022035 0.00195161 -0.00000680 0.00028461 -0.00129978 0.00046973 0.00028390 -0.00139935 -0.00074450 0.00042394 0.00040154 0.00365300 0.00015004 -0.00001703 -0.00001704 0.00000811 0.00045153 -0.00360991 -0.00024870 0.00001659 0.00001843 0.00002483 -0.02309186 0.02364138 -0.00671986 -0.00497321 0.00718326 -0.00038684 0.00567952 -0.00577194 0.00061609 0.00241967 -0.00285702 0.00226078 -0.00087681 -0.00092685 -0.00055686 -0.00079545 -0.00262138 -0.00140871 -0.00019840 0.00024805 0.00037795 0.00129248 -0.00171974 -0.00112278 -0.00091267 -0.00179394 0.00174673 -0.00059241 -0.00122356 0.00124591 -0.00021398 0.00006802 -0.00040580 0.00241695 -0.01094492 -0.00169604 -0.00082008 0.00097170 0.00036664 0.00212463 0.00580108 0.00103956 -0.00009456 -0.00012183 0.00055494 -0.00011039 0.00013005 -0.00009583 -0.00012267 0.00023203 -0.00016755 0.00001589 -0.00004425 -0.00001413 -0.00013033 0.00009458 -0.00065518 -0.00010893 0.00019316 0.00031919 -0.00012974 0.00002322 0.00017661 0.00001337 -0.00000158 0.00006102 0.74979164 -0.01694150 0.00442326 0.00162964 0.00127989 -0.00105006 -0.00005340 0.04487285 -0.11903907 0.01059392 0.00834902 0.00373749 0.00018512 -0.00190595 -0.00205898 -0.00102259 -0.00043524 0.00017088 0.00008688 0.00112206 -0.00104003 -0.00015705 -0.00002848 0.00012627 -0.00000720 -0.00061506 0.00014855 -0.00007990 0.00001216 0.00058368 0.00002082 -0.00009663 0.00000544 0.00002161 0.00015519 -0.00066149 -0.00001840 0.00003561 0.00000577 0.00000825 0.03554552 0.00337494 -0.00394265 -0.00531831 -0.00633952 0.00117186 0.00609454 -0.00192924 0.00021982 0.00429946 -0.00092102 0.00240991 -0.00069281 -0.00157367 -0.00067660 -0.00102996 -0.00137250 -0.00104095 -0.00029076 0.00022960 -0.00007969 0.00266691 0.00001704 -0.00186719 -0.00107847 -0.00089808 0.00109426 -0.00061431 -0.00177381 0.00157399 -0.00025670 0.00014194 0.00010059 -0.00210673 0.00082700 -0.00020698 -0.00029203 -0.00151999 -0.00054027 0.00088042 -0.00043798 0.00002107 0.00038395 0.00034220 0.00022228 0.00003942 0.00022898 -0.00014514 0.00004928 -0.00007696 -0.00000007 -0.00001103 -0.00000325 -0.00003085 0.00030520 0.00040212 -0.00009548 0.00005781 -0.00009267 -0.00004193 0.00008043 0.00012201 0.00021840 0.00000345 -0.00002959 0.00003666 0.10535692 0.61728745 0.00564701 -0.00446489 -0.00523392 -0.00003235 0.00010110 0.00089137 0.00534507 0.01023024 -0.05979919 -0.00388956 0.00002019 -0.00071181 -0.00057200 0.00224287 0.00121273 0.00022113 0.00003395 -0.00038422 -0.00017985 -0.00017701 0.00033806 -0.00006687 -0.00007415 -0.00007920 0.00000694 0.00008415 0.00016302 0.00006162 -0.00016131 0.00005545 0.00002727 0.00001035 -0.00005416 0.00001885 0.00014223 -0.00002790 -0.00000188 -0.00000193 0.00000871 -0.00628035 -0.00250020 -0.00209864 0.00093327 0.00169518 -0.00102384 -0.00136300 0.00051888 0.00072255 0.00113989 -0.00131692 0.00027810 0.00037978 0.00014536 0.00031594 0.00001770 0.00021664 0.00007180 0.00011898 0.00025831 0.00010386 -0.00201064 0.00132588 0.00107886 0.00062422 0.00036864 -0.00038275 0.00011233 0.00087107 -0.00057443 -0.00001156 -0.00027280 0.00021558 0.00128243 -0.00021450 0.00025085 -0.00030535 0.00110259 -0.00051428 -0.00053640 0.00011965 -0.00016203 -0.00007765 0.00000183 -0.00007905 -0.00003403 -0.00008663 0.00004096 -0.00000524 0.00005487 0.00000723 0.00001516 0.00000054 0.00002888 -0.00025980 -0.00041935 -0.00001883 -0.00010277 0.00009656 0.00005653 -0.00007250 -0.00007447 -0.00017500 -0.00000524 0.00002981 -0.00002201 -0.06099712 -0.11656913 0.24599173 -0.02870756 0.03537974 0.00484332 -0.00209632 -0.01114469 -0.00032520 -0.00670943 0.00011498 -0.00405479 -0.32407267 -0.06050819 -0.00314705 -0.00362036 0.00653442 0.00034244 0.00243033 0.00069445 0.00091577 0.00172316 -0.00158572 -0.00054151 -0.00187478 0.00066906 0.00082640 -0.00155664 -0.00055212 0.00006425 0.00063784 0.00414648 -0.00004454 0.00001724 -0.00002517 0.00005550 0.00048906 -0.00413168 -0.00012471 -0.00001191 0.00001429 -0.00000559 -0.00084495 -0.00086980 0.00109831 0.00246231 0.01121559 -0.00052341 0.00208675 -0.00584314 0.00027197 -0.00013983 0.00019266 0.00037110 -0.00012118 -0.00017898 -0.00015425 -0.00006370 -0.00006258 -0.00006478 0.00000828 0.00001410 -0.00004202 -0.00020290 -0.00007813 -0.00075923 -0.00013635 -0.00004166 0.00017992 -0.00010605 -0.00026235 0.00034591 0.00001840 -0.00000147 0.00004258 -0.00459347 -0.00793411 -0.00198392 -0.02334905 -0.02247552 -0.00896871 0.00563985 0.00588216 0.00151553 0.00209036 0.00252972 0.00208556 -0.00079380 0.00258717 -0.00112304 -0.00090256 0.00110495 -0.00055305 -0.00023338 -0.00027754 0.00036692 0.00092444 0.00180349 -0.00112867 -0.00060530 0.00104335 0.00128965 -0.00082778 0.00156831 0.00176111 -0.00022016 -0.00004685 -0.00038522 0.01988472 -0.00577221 0.01100716 0.74000682 0.01463225 0.00296186 -0.00284138 0.00235810 -0.00175833 0.00098652 -0.00783193 0.00354996 -0.00010335 -0.04053366 -0.11456950 -0.01455940 -0.00134455 -0.00075503 -0.00036523 -0.00115552 -0.00103930 -0.00031254 0.00035114 0.00010232 0.00008177 0.00057955 0.00014946 -0.00011085 0.00007390 0.00011975 0.00007099 -0.00016896 -0.00064257 0.00002307 -0.00004010 0.00000864 -0.00002188 -0.00003059 0.00060557 0.00001008 0.00008285 0.00001259 -0.00001251 0.00032020 -0.00146793 0.00077822 0.00155419 0.00118659 0.00020925 -0.00067633 -0.00033286 0.00000129 -0.00042161 0.00041611 -0.00020756 -0.00004318 -0.00006985 -0.00000659 -0.00002210 0.00022375 0.00016575 0.00000478 -0.00001401 0.00001842 -0.00023904 0.00030257 0.00007432 -0.00008994 0.00011902 -0.00016905 -0.00004610 -0.00009724 0.00003982 -0.00000042 -0.00002154 -0.00003721 0.00518589 -0.00588007 -0.00126677 -0.03500757 0.00335061 0.00409296 -0.00599169 -0.00190416 -0.00056361 -0.00450989 -0.00108193 -0.00241121 0.00106290 -0.00140892 0.00096647 0.00053628 -0.00185280 0.00062301 0.00026139 0.00022183 0.00010183 -0.00242378 0.00002178 0.00187683 0.00067626 -0.00144781 -0.00155677 0.00098286 -0.00082005 -0.00111117 0.00027113 0.00012871 -0.00008742 0.00433464 -0.02418256 0.00165712 -0.10618514 0.59379538 0.00926507 0.00423153 -0.00324676 0.00008996 -0.00236204 0.00114832 -0.00502830 0.00115651 -0.00080351 -0.00795836 -0.01543923 -0.06164844 -0.00039249 -0.00123248 0.00070150 -0.00043910 -0.00041428 0.00033105 0.00009855 0.00006596 -0.00012783 0.00019621 -0.00003414 0.00010713 0.00002780 0.00015399 -0.00005948 -0.00001695 -0.00041273 -0.00004534 -0.00000945 0.00000381 0.00000877 0.00003745 0.00039906 0.00004949 0.00003659 -0.00001068 -0.00004321 -0.00024529 -0.00113036 -0.00059429 0.00177817 0.00010790 0.00012487 -0.00074832 -0.00018508 -0.00009802 -0.00011517 0.00002681 -0.00012977 -0.00001246 -0.00004547 0.00001366 -0.00002511 0.00011382 0.00007264 0.00001031 -0.00000819 0.00003338 -0.00030431 0.00047842 0.00004031 -0.00008128 0.00010307 -0.00020087 -0.00011427 -0.00011514 0.00005112 -0.00000398 -0.00003302 -0.00002828 0.00068237 -0.00070135 -0.00120870 -0.00893046 0.00261185 -0.00192872 -0.00167303 -0.00106386 0.00063071 0.00115607 0.00150772 0.00052019 0.00009337 -0.00019815 0.00000847 0.00046799 -0.00031427 0.00036123 0.00017378 -0.00026635 0.00005421 -0.00191444 -0.00111757 0.00098205 0.00020391 -0.00087300 -0.00071109 0.00067090 -0.00033471 -0.00038975 0.00002183 0.00022082 0.00023906 0.01112496 -0.00591604 0.01415067 -0.05838273 0.14758200 0.26895587 -0.00917796 -0.00068212 -0.00120347 -0.00077303 -0.00279770 0.00009344 -0.01366986 0.02723027 -0.00571717 -0.01280649 -0.02579342 -0.00872812 -0.00083817 0.00309084 0.00048517 0.00083129 0.00038410 -0.00002442 0.00079358 -0.00041236 -0.00007762 -0.00059557 0.00022297 0.00017066 -0.00056123 -0.00022379 0.00006547 0.00020224 0.00137078 0.00002286 0.00000399 -0.00000930 0.00000315 0.00018022 -0.00136098 -0.00007673 0.00000489 0.00000925 -0.00000037 -0.00347856 -0.00053920 0.00069942 -0.00012121 0.00406059 0.00001246 0.00074164 -0.00183866 0.00003062 0.00042069 -0.00023533 0.00038297 0.00004112 0.00008744 0.00005470 0.00002097 -0.00022183 -0.00016859 0.00003329 0.00004564 -0.00002247 0.00065974 -0.00068812 -0.00026893 0.00002503 -0.00017146 0.00027817 0.00000171 0.00016584 -0.00013486 0.00005009 0.00009224 -0.00004389 -0.00009786 -0.00401487 -0.00062403 -0.00349646 0.00074856 0.00018901 0.00076414 0.00187076 0.00032912 0.00050215 0.00030584 0.00040367 0.00003300 0.00025494 -0.00017384 0.00005509 -0.00011376 0.00006756 0.00003232 -0.00003608 -0.00001959 0.00058776 0.00060541 -0.00028067 -0.00001133 -0.00013475 -0.00011977 0.00001640 0.00014402 0.00027473 0.00004902 -0.00009155 -0.00004311 -0.08487348 0.04829599 -0.01822003 -0.08478257 -0.04547000 -0.02319287 0.50316152 0.00052203 0.00671615 0.00016607 0.00005679 -0.00085784 0.00008929 0.00528795 0.00120810 0.00256206 -0.00486962 0.00200768 -0.00312207 -0.00020845 -0.00108991 -0.00021914 0.00013909 -0.00010618 0.00004606 -0.00011636 -0.00016940 -0.00003251 -0.00001498 0.00001365 0.00001063 0.00001534 0.00003666 -0.00001177 0.00001492 -0.00003693 -0.00001497 0.00001343 -0.00000115 0.00000267 -0.00001309 0.00001343 0.00001195 -0.00001103 -0.00000385 -0.00000512 -0.00123078 0.00102691 0.00242810 0.00140517 0.00079020 -0.00002694 -0.00098057 0.00016433 -0.00008060 -0.00108414 0.00052760 -0.00069626 -0.00001957 -0.00011992 -0.00008671 0.00001847 0.00038656 0.00035429 0.00002370 -0.00005388 0.00006068 -0.00040302 -0.00050382 0.00083966 0.00026959 0.00015057 -0.00016309 0.00032924 0.00017345 -0.00006496 0.00000777 -0.00003700 -0.00003347 -0.00140762 0.00113842 0.00009065 0.00124569 0.00123039 -0.00271274 0.00085235 -0.00007631 0.00008355 0.00103373 0.00056715 0.00061270 0.00001579 0.00037803 -0.00032060 0.00007543 -0.00014114 0.00007707 -0.00002408 -0.00003006 -0.00005393 0.00022354 -0.00056817 -0.00084690 -0.00033152 0.00017559 0.00009981 -0.00028123 0.00010667 0.00011785 -0.00000539 -0.00003223 0.00002968 0.02460596 -0.13384236 -0.00297052 -0.02185753 -0.12670535 -0.00285449 -0.00424459 0.46302493 -0.00263796 0.00051851 0.00043515 -0.00016142 -0.00121896 -0.00019934 0.00337490 -0.00262480 0.00400674 0.00366434 0.00127773 0.00315516 -0.00012302 0.00119670 0.00008268 0.00018928 0.00007115 0.00008714 0.00018213 -0.00002560 -0.00001323 -0.00020115 0.00011487 0.00008388 -0.00018710 -0.00013633 0.00003285 0.00005315 0.00062737 -0.00000617 -0.00000564 -0.00000723 0.00002324 0.00004512 -0.00062197 -0.00004192 -0.00000566 0.00000562 0.00002019 0.00187185 0.00170641 0.00568958 -0.00066721 0.00071150 0.00041279 0.00119102 -0.00108376 -0.00012147 -0.00037014 0.00112229 0.00034200 -0.00022721 -0.00011670 -0.00005849 -0.00011634 0.00000715 0.00005422 0.00002312 -0.00002133 -0.00010104 0.00108785 -0.00140509 -0.00012775 0.00017617 -0.00027308 0.00051320 0.00020360 0.00022124 -0.00015420 -0.00002771 0.00006359 0.00000908 -0.00063032 -0.00091807 0.00021304 0.00177160 -0.00166983 0.00533983 0.00119928 0.00113666 0.00003616 -0.00022634 -0.00106421 0.00034744 -0.00012242 0.00003126 0.00002675 -0.00024050 0.00010869 -0.00002834 0.00002326 0.00001888 -0.00010044 0.00112324 0.00133371 -0.00017520 0.00014129 -0.00016803 -0.00014568 0.00012758 0.00025712 0.00053730 -0.00002543 -0.00007655 0.00000155 -0.01805033 0.02589276 -0.07136934 -0.02152739 -0.03225535 -0.07403148 0.02716135 0.00402336 0.36212707 0.01025728 0.01940810 0.00048327 0.00141704 0.00267854 0.00014316 -0.09202141 -0.05296892 0.01682591 0.00195528 0.00038596 0.00116689 -0.00011373 -0.00743387 -0.00146713 -0.00090146 -0.00066025 0.00014430 -0.00087808 -0.00024454 -0.00018548 0.00078828 -0.00027155 -0.00018427 0.00066878 0.00048665 -0.00024662 -0.00023662 -0.00215222 -0.00007807 0.00000027 0.00000987 -0.00000258 -0.00023310 0.00208455 0.00014823 -0.00000037 -0.00001304 -0.00001554 0.00801782 -0.00969796 0.00236486 0.00314870 -0.00391526 0.00016982 -0.00306242 0.00300082 -0.00026690 -0.00059659 0.00175837 -0.00058086 -0.00077279 0.00033449 0.00022414 -0.00005575 0.00074293 0.00057586 -0.00023354 -0.00003685 0.00007465 -0.00106274 0.00290206 -0.00091711 -0.00062685 0.00029961 -0.00077448 -0.00207021 0.00094552 -0.00091961 -0.00019633 -0.00013892 -0.00018055 -0.00163580 0.00655394 0.00086061 0.00031463 0.00003712 -0.00004573 -0.00145839 -0.00386813 -0.00063747 0.00001643 0.00001109 -0.00036221 0.00004297 -0.00010932 0.00008879 0.00005877 -0.00009559 0.00009364 -0.00000798 0.00001746 0.00002596 0.00005721 -0.00017283 0.00034944 0.00002143 -0.00004299 -0.00014719 0.00001245 -0.00003839 -0.00013587 -0.00001613 0.00002039 -0.00003982 -0.26186614 -0.21795534 0.06873603 -0.00148262 0.00023461 0.00021844 0.00115457 -0.01296386 0.00451865 0.33731200 0.01056296 0.01050515 0.00019237 0.00105739 0.00287368 0.00009716 -0.05644382 0.00410130 0.00584928 -0.00306176 -0.00105376 -0.00009676 0.00083305 -0.00416416 -0.00052721 -0.00076538 -0.00051689 0.00005568 -0.00095685 0.00036903 0.00001088 0.00065863 -0.00023582 -0.00013077 0.00066462 0.00028578 -0.00014293 -0.00021023 -0.00166986 -0.00005897 0.00000558 0.00001150 -0.00000462 -0.00020630 0.00164970 0.00009425 -0.00000432 -0.00000875 -0.00000670 0.00061526 -0.00686807 0.00141081 0.00169173 -0.00255154 -0.00000877 -0.00240225 0.00252003 -0.00024015 -0.00108498 -0.00106346 -0.00257705 0.00193346 0.00121541 0.00053613 0.00119963 0.00116512 0.00055481 0.00058193 -0.00007411 -0.00016998 -0.00018260 -0.00067282 0.00256691 0.00126234 0.00092484 -0.00083595 0.00220066 0.00113806 -0.00109704 0.00056603 0.00001474 0.00014542 -0.00015471 0.00390596 0.00058560 0.00020410 0.00081315 0.00022870 -0.00137796 -0.00236502 -0.00042499 -0.00016602 -0.00014351 -0.00034801 0.00000693 -0.00017662 0.00013094 0.00000994 -0.00000564 0.00005076 -0.00000785 0.00001292 0.00003141 -0.00011244 -0.00031150 0.00025162 -0.00003460 0.00005561 -0.00004310 -0.00005972 -0.00008803 -0.00018498 -0.00001192 0.00003217 -0.00004331 -0.19654749 -0.34059235 0.08304607 0.00914469 0.00604831 0.00751436 -0.02874441 -0.04714022 0.00824260 0.26100854 0.38269915 -0.00318511 -0.00116937 0.00362789 -0.00032562 -0.00054676 -0.00033567 0.02040276 0.00786357 0.02218179 0.00127392 -0.00009903 0.00009944 0.00038012 0.00065601 -0.00017456 0.00010084 0.00006335 0.00015534 0.00014550 0.00012835 -0.00012807 -0.00010752 0.00005431 0.00007715 -0.00007941 -0.00011458 -0.00007707 0.00001737 0.00039944 -0.00000821 -0.00000154 -0.00000310 0.00001118 0.00002548 -0.00037286 -0.00000134 -0.00000294 0.00000284 -0.00000274 -0.00137000 0.00107834 -0.00508115 -0.00057565 0.00055876 0.00029483 0.00063955 -0.00062917 0.00000898 0.00059634 -0.00231160 -0.00009108 0.00113204 0.00002478 -0.00004768 0.00053506 -0.00023015 -0.00040573 0.00008266 0.00002077 -0.00012779 -0.00064061 0.00300067 -0.00207488 -0.00143888 -0.00043834 0.00009249 -0.00251217 -0.00067689 0.00040424 -0.00010909 -0.00007974 -0.00021887 -0.00021171 -0.00099813 -0.00032380 0.00011051 -0.00045073 0.00007402 0.00047555 0.00062667 0.00023027 0.00001924 0.00001400 0.00007869 0.00001785 0.00005277 -0.00002873 0.00000117 -0.00001057 -0.00001814 -0.00000257 0.00000210 -0.00001575 0.00006754 0.00017567 -0.00004729 0.00004373 -0.00003642 0.00000293 0.00003013 0.00003323 0.00007880 0.00000725 -0.00001346 0.00001707 0.06421449 0.08339474 -0.09255635 -0.00426019 -0.00294816 -0.00437339 0.01053655 0.02277991 0.01176806 -0.08524777 -0.10962562 0.06441772 0.00892796 -0.01776378 -0.00063031 0.00042928 0.00727654 -0.00030713 0.00221537 -0.00059939 0.00091288 -0.09363503 0.05359229 0.02109098 0.00189001 -0.00319975 -0.00011377 -0.00107058 -0.00005345 -0.00036530 -0.00098493 0.00074374 0.00026149 0.00088524 -0.00043888 -0.00038739 0.00082175 0.00031154 -0.00006818 -0.00031168 -0.00228077 0.00000636 0.00000080 0.00001596 -0.00002787 -0.00024226 0.00229699 0.00008503 -0.00000086 -0.00000744 0.00000499 0.00028604 -0.00009102 -0.00044374 -0.00146324 -0.00661532 0.00012452 -0.00145162 0.00376298 -0.00015470 0.00004162 -0.00004625 -0.00028507 0.00005580 0.00007583 0.00009232 0.00002377 0.00008041 0.00008117 -0.00000868 -0.00000429 0.00004215 0.00006663 0.00017711 0.00040318 0.00002081 0.00005425 -0.00014264 0.00001638 0.00006790 -0.00015669 -0.00001675 -0.00001853 -0.00003064 0.00296059 0.00401950 0.00092514 0.00784418 0.00933005 0.00329051 -0.00304420 -0.00300958 -0.00071685 -0.00051568 -0.00172574 -0.00045437 -0.00008373 -0.00069172 0.00047095 -0.00099038 -0.00067959 0.00038036 -0.00023792 0.00001422 0.00009411 -0.00085077 -0.00271915 -0.00108074 -0.00189882 -0.00083918 -0.00085889 -0.00061804 -0.00023736 -0.00074024 -0.00021586 0.00014696 -0.00015202 -0.00162687 -0.00020835 0.00008117 -0.25910309 0.21298513 0.08440475 0.00143855 0.01210740 0.00600049 0.00170475 0.00060361 -0.00039526 0.33521993 -0.00874220 0.00973586 0.00041651 -0.00140088 -0.00404712 -0.00024942 0.00268087 -0.00103145 0.00028451 0.05672634 0.00285868 -0.00788660 -0.00132378 0.00307812 0.00033032 0.00109330 0.00057903 0.00029886 0.00088185 -0.00055363 -0.00020454 -0.00079130 0.00024883 0.00032817 -0.00071089 -0.00026112 0.00001867 0.00026557 0.00176511 -0.00000160 0.00000478 -0.00001147 0.00001814 0.00022628 -0.00177140 -0.00006233 -0.00000308 0.00000978 -0.00000265 -0.00017205 0.00086509 0.00001313 0.00021384 0.00371966 -0.00005448 0.00129878 -0.00230254 0.00007875 0.00016800 -0.00013780 0.00029821 -0.00001184 0.00000244 -0.00004852 -0.00000288 -0.00015683 -0.00013660 0.00000708 0.00001051 -0.00003824 0.00010639 -0.00029811 -0.00027878 0.00006122 -0.00010155 0.00017732 0.00003488 0.00005195 0.00004524 0.00001132 0.00002868 0.00003760 -0.00150843 -0.00270049 -0.00060901 -0.00038919 -0.00661139 -0.00162293 0.00233238 0.00248872 0.00061704 0.00091409 -0.00155132 0.00236540 -0.00130023 0.00113838 -0.00040049 -0.00234304 0.00118592 -0.00040360 -0.00061084 -0.00006705 0.00018766 0.00020912 -0.00019918 -0.00245999 -0.00198528 0.00086340 0.00113533 -0.00108839 0.00080440 0.00085820 -0.00056973 0.00000894 -0.00013521 -0.00863697 0.00657344 -0.00655001 0.19119774 -0.32999636 -0.10324297 0.02721568 -0.04472266 -0.01382533 -0.00065451 -0.00705442 0.00324074 -0.25437612 0.36881535 -0.00443571 0.00136452 0.00258453 -0.00003584 -0.00087312 -0.00023496 0.00158100 -0.00023466 0.00025868 0.02411151 -0.00841526 0.02159110 -0.00044323 0.00126387 -0.00022691 0.00034863 0.00021664 -0.00009541 0.00022941 -0.00018534 0.00004497 -0.00024399 0.00010840 -0.00002296 -0.00019140 -0.00010303 0.00005903 0.00006395 0.00062094 0.00002549 0.00000028 -0.00000394 0.00000152 0.00004465 -0.00062604 -0.00003406 -0.00000502 0.00000261 0.00000668 0.00010061 0.00050321 0.00017252 -0.00041654 0.00133028 -0.00016364 0.00063256 -0.00072993 0.00011555 0.00003264 -0.00001781 0.00010493 0.00000317 0.00000774 -0.00002358 0.00001536 -0.00006495 -0.00004565 0.00000048 0.00000133 -0.00002126 0.00007762 -0.00021203 -0.00008840 0.00003536 -0.00004892 0.00009655 0.00005290 0.00004426 0.00000989 0.00000914 0.00001590 0.00001892 -0.00053243 -0.00111955 0.00016580 -0.00130877 -0.00117747 -0.00522510 0.00082981 0.00093498 0.00014326 0.00057286 0.00219504 0.00011258 0.00048188 0.00027077 -0.00038124 0.00114276 0.00018233 -0.00020778 0.00004219 0.00000438 -0.00011429 -0.00060579 -0.00284144 -0.00239478 -0.00254365 0.00071044 0.00054562 -0.00147416 0.00044574 0.00015216 -0.00020105 0.00011044 -0.00022090 -0.00505565 0.00406464 -0.00472018 0.07816045 -0.10345967 -0.10768146 0.01298017 -0.02864151 0.00795860 -0.00046894 -0.00408168 0.00202388 -0.10379611 0.13493082 0.08422464 0.00440518 0.00020634 0.00007706 0.00000716 0.00125050 -0.00006629 -0.00583106 0.01054849 -0.00195462 -0.00629526 -0.01030362 -0.00235664 0.00002663 -0.00131286 -0.00020696 -0.00019757 -0.00003896 -0.00001968 -0.00017692 0.00002519 0.00000054 0.00020766 -0.00011282 -0.00007009 0.00017679 0.00012058 -0.00002805 -0.00005779 -0.00065864 -0.00000996 0.00000983 0.00000396 -0.00000779 -0.00004392 0.00064782 0.00003626 0.00000713 -0.00000256 -0.00000660 -0.00116417 -0.00295999 0.00009916 0.00101070 -0.00052342 -0.00017061 -0.00151399 0.00118861 -0.00005967 -0.00030488 0.00009215 -0.00041006 0.00004747 -0.00000496 0.00005219 0.00002276 0.00024643 0.00019183 0.00001800 0.00000733 0.00006326 -0.00035130 0.00034783 0.00037112 0.00001897 0.00018600 -0.00028203 0.00005278 -0.00002254 -0.00005025 0.00001224 -0.00002534 -0.00004851 0.00098037 0.00051701 -0.00006118 -0.00113745 0.00301712 0.00006870 -0.00151550 -0.00119700 -0.00020198 -0.00027554 -0.00003491 -0.00039138 0.00001413 -0.00024919 0.00016527 0.00004357 0.00000482 0.00005082 0.00002006 -0.00001532 0.00006192 -0.00037546 -0.00042355 0.00035503 0.00005325 0.00002486 -0.00004992 0.00001847 -0.00017277 -0.00030844 0.00001096 0.00003283 -0.00004463 -0.03789037 -0.00523254 0.00866380 -0.03799561 0.00462177 0.00891047 -0.24193762 0.00131796 0.00096049 0.00424575 -0.00219914 -0.00035095 0.00407816 0.00191596 0.00015011 0.34351098 -0.00016709 -0.00347838 -0.00012710 -0.00004779 0.00057881 -0.00005687 0.00541936 -0.00623063 0.00126930 -0.00538272 -0.00560401 -0.00162594 0.00013413 0.00056805 0.00015872 -0.00008333 0.00008989 -0.00005144 0.00006017 0.00011949 0.00004583 0.00002753 -0.00001359 -0.00002341 -0.00000917 -0.00001607 0.00002178 -0.00001529 -0.00000231 0.00001034 -0.00000853 0.00000171 0.00000033 0.00000865 0.00001166 -0.00000749 0.00000733 0.00000221 -0.00000080 0.00094576 0.00159534 -0.00015001 -0.00088753 -0.00097664 0.00012940 0.00064693 0.00000808 -0.00001029 0.00016746 -0.00006420 0.00016021 0.00000247 0.00005844 0.00001092 0.00001325 -0.00011209 -0.00008930 0.00000222 -0.00000812 -0.00004049 0.00017376 -0.00014663 -0.00010812 0.00002166 -0.00007883 0.00011350 -0.00000050 0.00006531 -0.00003514 0.00000471 0.00000959 0.00003375 0.00084291 -0.00093620 -0.00020657 -0.00089263 0.00154461 0.00009723 -0.00060106 0.00003632 0.00002020 -0.00014455 -0.00003048 -0.00012785 -0.00002021 -0.00010182 0.00007039 -0.00000362 0.00006202 -0.00001105 -0.00000214 -0.00001802 0.00003939 -0.00015599 -0.00016029 0.00009892 -0.00000282 0.00005296 0.00003099 -0.00001817 -0.00007023 -0.00011367 -0.00000566 0.00001135 -0.00002822 0.02733245 -0.00334431 -0.00168428 -0.02622023 -0.00328380 0.00038028 -0.00002268 -0.06799440 -0.00054275 0.01053618 0.00000628 -0.00063688 -0.01056377 -0.00012913 0.00092107 0.00187086 0.08068990 0.00026459 -0.00018685 -0.00001549 0.00000874 0.00015405 0.00000407 -0.00085448 0.00099190 0.00063058 -0.00150000 -0.00175015 0.00035718 0.00001627 -0.00010952 -0.00001317 -0.00001881 0.00000087 -0.00001141 -0.00000376 0.00000405 -0.00000300 0.00001860 -0.00001257 -0.00000664 0.00001101 0.00001346 -0.00000183 -0.00000558 -0.00006910 0.00000140 0.00000015 0.00000032 -0.00000317 -0.00000223 0.00006768 0.00000527 0.00000125 0.00000019 -0.00000297 -0.00008720 -0.00022482 -0.00022230 0.00006688 -0.00005890 -0.00004112 -0.00012506 0.00011136 0.00000596 0.00001496 -0.00003280 -0.00002669 -0.00000621 -0.00001800 -0.00000324 -0.00000396 0.00000665 0.00000486 -0.00000581 -0.00000080 0.00001473 -0.00007741 0.00010423 0.00001444 -0.00000845 0.00001438 -0.00004195 -0.00000573 -0.00001258 0.00000608 -0.00000116 -0.00000258 -0.00000856 0.00015400 -0.00003450 -0.00006030 -0.00019850 0.00042032 -0.00024394 -0.00019981 -0.00012168 -0.00000358 -0.00000667 0.00003678 -0.00004585 -0.00000574 -0.00001893 0.00001290 -0.00000613 0.00002661 -0.00000256 -0.00000556 0.00000109 0.00001980 -0.00010439 -0.00013332 0.00002481 -0.00000590 0.00001690 0.00000740 -0.00000879 -0.00002266 -0.00006113 -0.00000308 0.00000506 -0.00001209 -0.00217951 0.00085628 0.00583115 -0.00574836 -0.00170427 0.00594327 0.02255115 -0.00084239 -0.05782184 -0.00337034 0.00144451 -0.00021386 -0.00408266 -0.00099826 -0.00019963 -0.05847816 0.00004703 0.07950904 0.00107833 0.00015735 0.00089942 0.00023911 0.00094424 -0.00013650 -0.00047890 0.00135709 -0.00106562 -0.00057268 -0.00113867 -0.00064673 0.00026552 -0.00095843 -0.00016683 -0.00023872 -0.00012396 0.00003269 -0.00024005 0.00015714 0.00002043 0.00018263 -0.00006370 -0.00005478 0.00016710 0.00005633 -0.00003418 -0.00006386 -0.00041162 -0.00000896 -0.00000040 0.00000160 0.00000137 -0.00005440 0.00040549 0.00002526 -0.00000343 -0.00000216 0.00000099 0.00053114 -0.00043454 0.00009110 0.00011851 -0.00105667 -0.00000288 -0.00039252 0.00061087 -0.00003409 -0.00013935 0.00011001 -0.00008755 -0.00002353 -0.00001146 0.00000044 -0.00001349 0.00008221 0.00006696 -0.00000651 0.00002361 0.00001232 -0.00017299 0.00015518 0.00010833 0.00003468 0.00006250 -0.00009420 0.00004222 -0.00000288 -0.00000905 -0.00000798 -0.00001695 0.00000616 0.00016957 0.00093378 0.00014162 0.00054953 0.00041325 0.00028393 -0.00040416 -0.00058541 -0.00011589 -0.00015573 -0.00010110 -0.00011355 -0.00001438 -0.00009363 0.00007404 -0.00002640 0.00001947 -0.00000058 -0.00000404 -0.00001902 0.00002104 -0.00016997 -0.00015266 0.00012233 0.00004243 0.00000481 -0.00000822 0.00003172 -0.00005615 -0.00010195 -0.00001013 0.00001562 0.00000675 0.00514567 -0.00120435 -0.00893492 0.00498049 0.00217236 -0.00924719 -0.05600001 0.00065162 -0.00841504 0.00055363 0.00225567 -0.00041653 0.00053958 -0.00213133 -0.00052626 -0.02095134 -0.00303634 0.05362921 0.06778707 -0.00009937 -0.00272013 -0.00011256 0.00004769 0.00034451 -0.00001885 0.00217600 -0.00403845 0.00285198 -0.00182813 -0.00290310 -0.00291694 0.00007248 0.00033224 0.00009942 -0.00009712 0.00001593 -0.00002740 0.00002851 0.00008320 0.00001092 0.00003162 -0.00001029 -0.00001954 0.00000521 -0.00001499 0.00000625 -0.00001553 -0.00001582 0.00001107 -0.00000541 0.00000173 -0.00000495 -0.00000086 0.00002255 -0.00000572 0.00000346 0.00000240 0.00000364 -0.00026394 0.00026992 -0.00172204 -0.00061020 -0.00028053 -0.00006025 0.00035152 -0.00006090 0.00007682 0.00046423 -0.00041253 0.00018573 0.00006909 0.00009007 0.00003769 0.00003934 -0.00017042 -0.00017416 0.00000052 -0.00001574 -0.00001620 0.00008992 0.00013506 -0.00019550 -0.00004047 -0.00005402 0.00005343 -0.00008633 0.00000404 -0.00000289 -0.00000325 0.00001383 0.00001609 0.00056240 -0.00031281 0.00002469 0.00018745 0.00013686 0.00153422 -0.00029123 0.00000405 -0.00005859 -0.00037279 -0.00032613 -0.00012855 -0.00004164 -0.00013848 0.00012833 -0.00006470 0.00009244 -0.00001982 0.00002209 0.00001066 0.00001264 -0.00002484 0.00012425 0.00016943 0.00007003 -0.00000488 -0.00000842 0.00003409 -0.00003542 -0.00003380 0.00000090 0.00001061 -0.00001496 0.00053629 0.00270370 0.03348950 -0.00084324 0.00568363 -0.02884138 0.00125385 -0.05557026 0.00933223 0.00072579 -0.00250247 -0.00289236 -0.00072656 -0.00154038 0.00264350 -0.00238882 0.00730521 0.00195529 0.00180665 0.05378319 0.00133982 -0.00006750 -0.00220387 0.00033115 0.00113179 0.00001800 -0.00323721 0.00472845 -0.00037002 -0.00407963 -0.00499196 -0.00178052 0.00025690 -0.00119218 -0.00022689 -0.00022797 -0.00016099 -0.00004852 -0.00019191 0.00012297 0.00003152 0.00022417 -0.00007056 -0.00006295 0.00020300 0.00008331 -0.00002047 -0.00007297 -0.00057178 -0.00001045 0.00000237 0.00000377 -0.00000596 -0.00006335 0.00056961 0.00002385 0.00000400 -0.00000138 -0.00000317 -0.00030446 -0.00056355 0.00176110 0.00065314 -0.00080035 0.00003689 -0.00096049 0.00092313 -0.00009649 -0.00056570 0.00047361 -0.00042238 -0.00009418 -0.00009855 -0.00002874 -0.00004558 0.00024619 0.00026764 -0.00003265 -0.00000922 0.00008110 -0.00013792 -0.00008298 0.00033799 -0.00000376 0.00008071 -0.00013131 0.00005082 -0.00005971 -0.00000489 0.00000290 -0.00002592 -0.00003118 0.00073185 0.00080401 0.00021809 -0.00034946 0.00046902 0.00199049 -0.00104042 -0.00094933 -0.00024669 -0.00059604 -0.00050760 -0.00043894 -0.00005998 -0.00027443 0.00026882 -0.00011653 0.00011070 -0.00003230 -0.00004375 -0.00000033 0.00008404 -0.00010222 0.00008657 0.00037388 0.00005515 0.00005142 -0.00001764 -0.00000255 -0.00007395 -0.00014017 0.00000078 0.00002828 -0.00003940 0.00295026 -0.00204247 -0.03246368 0.00298296 0.00645364 -0.03581112 -0.01818982 0.00920527 -0.20015318 -0.00036359 0.00822018 0.00076928 -0.00056580 -0.00825044 0.00054996 0.04556612 0.00214570 -0.03307219 -0.02618368 -0.01553196 0.30278600 -0.03024886 0.00894484 0.03257775 -0.00442115 -0.00523542 -0.00583417 -0.00281164 -0.00131579 0.00491974 -0.00134337 0.00072087 -0.00217170 -0.00396105 0.00291749 -0.00518646 0.00362997 0.00124372 0.00126319 0.00605495 -0.00281388 -0.00076893 -0.00200012 0.00061628 0.00136345 -0.00238674 -0.00041891 0.00081660 0.00101401 0.00377807 -0.00016421 0.00000190 -0.00001631 0.00006768 0.00101820 -0.00382342 -0.00021610 0.00005746 0.00003825 -0.00001679 0.00024453 0.00012427 -0.00018376 0.00210740 0.00668106 0.00067008 0.00136473 -0.00400377 -0.00029971 0.00003000 0.00001498 0.00013495 -0.00006294 -0.00004931 -0.00008594 -0.00003301 -0.00006860 -0.00007111 -0.00006505 -0.00010628 -0.00005552 -0.00029954 0.00015635 -0.00025316 0.00008406 -0.00005056 -0.00001227 -0.00003124 -0.00004107 0.00013895 0.00002415 0.00000880 0.00001863 0.00083580 -0.00410610 -0.00066918 0.00028742 0.00061978 -0.00025236 0.00069185 0.00191571 0.00047614 0.00006207 0.00003459 0.00034729 -0.00009602 0.00007228 -0.00009392 -0.00002593 0.00006624 -0.00010306 0.00001675 0.00001587 -0.00006988 -0.00009685 -0.00016094 -0.00025092 -0.00001785 0.00002112 0.00008449 0.00002555 0.00001138 0.00000452 0.00000553 0.00000940 0.00004615 0.00340797 0.00146729 -0.00021733 0.00029652 -0.00009566 -0.00071548 0.00083656 -0.00013508 0.00019799 -0.00136169 -0.00141792 0.00015206 -0.00039696 0.00028546 0.00048116 -0.00027856 0.00008317 -0.00004185 0.00043317 0.00021606 -0.00040863 0.08623230 0.01291138 -0.01546490 -0.03055973 0.00491929 0.00505485 0.00915195 -0.00022179 0.00055896 0.00412101 0.00208374 -0.00356190 0.00099911 0.00325676 -0.01066214 -0.00475641 -0.00352271 -0.00049864 -0.00084094 -0.00237233 0.00231837 0.00151962 0.00142477 -0.00094602 -0.00146933 0.00203897 0.00030439 0.00030680 -0.00063885 -0.00391715 0.00010015 -0.00000139 0.00001769 -0.00008113 -0.00063696 0.00408715 0.00003482 -0.00004195 -0.00002911 0.00002651 0.00052833 0.00080247 -0.00143709 -0.00224598 -0.00795894 -0.00182435 -0.00170747 0.00487080 0.00059424 0.00005758 -0.00009387 -0.00081207 0.00007301 0.00008977 0.00017921 0.00001228 0.00008687 0.00016863 -0.00014479 -0.00001483 0.00021659 0.00028371 0.00030761 0.00094916 0.00006009 0.00009725 -0.00021791 0.00001939 0.00015583 -0.00034407 -0.00001782 -0.00005769 -0.00002140 0.00016722 0.01057288 0.00181294 0.00051236 -0.00122879 0.00042312 -0.00250135 -0.00416501 -0.00097469 -0.00007497 0.00006434 -0.00083732 0.00013938 -0.00023336 0.00022420 0.00005100 -0.00021032 0.00017315 -0.00006370 0.00002002 0.00008493 -0.00011491 -0.00001516 0.00066124 0.00005718 -0.00005402 -0.00016703 0.00006185 -0.00006216 -0.00018619 -0.00000206 0.00002347 -0.00007771 -0.00153831 0.00120609 0.00004335 -0.00338907 0.00068409 0.00045221 -0.00063153 0.00006532 -0.00089858 0.00161190 0.00036642 -0.00046498 0.00165210 -0.00115123 -0.00059372 0.00045882 -0.00001994 0.00017528 -0.00059862 -0.00023996 0.00118469 -0.07321895 0.18110779 0.01032554 -0.01366415 -0.08261713 0.00414555 -0.00226810 -0.00394681 0.00118134 -0.00229259 -0.00292623 -0.01090416 0.00128394 -0.00122431 0.00481586 -0.00418499 -0.00714767 -0.00210533 -0.00509159 0.00028719 -0.00061003 0.00443808 0.00178609 0.00119366 0.00023696 -0.00093690 0.00180135 -0.00012378 0.00001527 -0.00030461 -0.00258176 -0.00009391 -0.00004983 0.00004133 0.00007278 -0.00036861 0.00300097 -0.00002424 0.00003607 -0.00001297 0.00001571 -0.00119171 -0.00056380 -0.00000193 0.00198738 0.00198528 -0.00177709 0.00056358 -0.00223813 0.00093276 0.00030227 -0.00029985 0.00065660 -0.00003676 -0.00010195 -0.00009542 -0.00012807 -0.00021847 -0.00016039 -0.00003999 -0.00004358 -0.00008605 0.00015407 -0.00027311 -0.00039255 -0.00002215 -0.00007782 0.00021030 -0.00002934 -0.00000119 0.00009049 -0.00000705 0.00002298 0.00007198 0.00022876 0.00386387 0.00165089 -0.00152104 -0.00197896 0.00140450 -0.00020044 -0.00003286 -0.00039502 0.00052227 0.00003088 0.00033391 0.00007076 0.00022999 -0.00025674 -0.00001661 -0.00019931 -0.00001251 0.00001127 0.00005607 -0.00024367 0.00065911 0.00080305 -0.00039257 -0.00000584 -0.00009261 -0.00001147 -0.00003584 0.00022131 0.00042541 0.00000446 -0.00005042 0.00000851 0.00201658 0.00080254 0.00036608 0.01120363 -0.00044620 -0.00079272 0.00163803 0.00031393 0.00171873 -0.00167899 -0.00135313 0.00026072 -0.00559694 0.00380113 0.00137301 -0.00095070 -0.00028812 -0.00025952 0.00041980 0.00001750 -0.00178302 0.02395288 -0.07215576 0.18395783 0.00098060 0.00054804 0.00091085 -0.00178457 0.00155085 0.00064423 -0.00107362 -0.00032019 0.00018776 -0.00120961 0.00029637 0.00001689 -0.00109096 0.00020938 0.00048955 0.00094357 -0.00772672 -0.00008733 0.00023360 0.00138954 -0.00007468 -0.04225948 0.02316337 0.00456620 0.00235097 0.00199100 0.00003903 -0.12489532 0.05392856 0.01027588 0.00161974 0.00099180 -0.00022868 -0.01764406 0.00920086 0.00195875 -0.00066047 -0.00008626 0.00002990 -0.00016528 0.00002457 0.00005412 0.00000144 0.00160604 -0.00035520 0.00027948 -0.00087230 0.00019806 -0.00000025 -0.00000706 0.00015348 -0.00002349 -0.00002859 -0.00004182 -0.00000971 -0.00005021 -0.00004172 0.00000404 0.00000718 -0.00001553 0.00000694 -0.00006584 -0.00016225 -0.00000323 -0.00003405 0.00006116 -0.00001664 -0.00000882 0.00004814 0.00000522 0.00001272 0.00001192 -0.00071598 -0.00140804 -0.00048558 -0.00008526 -0.00014576 0.00001479 0.00041489 0.00102321 0.00038724 -0.00001486 -0.00000988 0.00013787 -0.00000099 0.00004686 -0.00003310 -0.00003032 0.00003041 -0.00003816 0.00000453 -0.00000566 -0.00001360 -0.00001188 0.00007622 -0.00013806 -0.00002032 0.00000796 0.00004850 0.00000021 0.00002478 0.00005941 0.00000568 -0.00001415 0.00000868 0.00135197 0.00019520 -0.00008856 0.00142552 -0.00015795 -0.00015937 0.00046797 -0.00000848 0.00025639 -0.00080658 -0.00058779 0.00015936 -0.00085098 0.00060112 0.00023429 -0.00027191 -0.00000125 -0.00003027 -0.00014162 -0.00000138 -0.00021023 0.00093836 -0.00132647 -0.00050856 0.18045100 -0.00062677 -0.00066985 -0.00070953 -0.00030432 -0.00011177 -0.00038827 0.00075539 0.00021602 -0.00014431 0.00079723 -0.00015605 -0.00001525 0.00065496 0.00029136 -0.00029231 -0.00166577 0.00082450 -0.00002859 0.00007325 -0.00005945 0.00003974 -0.00013115 0.00464322 0.00008402 -0.00472917 -0.00506096 0.00015366 0.05026886 -0.06895069 -0.00600520 -0.00135118 0.00101216 0.00016137 0.03352551 -0.01908290 -0.00345697 0.00156291 0.00003680 -0.00008338 0.00013749 -0.00008169 -0.00002553 0.00000928 -0.00051489 0.00016991 -0.00007073 0.00042451 -0.00012306 -0.00002448 0.00001710 -0.00008254 0.00001090 0.00000964 0.00001764 0.00000768 0.00003266 0.00002781 -0.00000138 -0.00000430 0.00000750 -0.00002824 0.00004842 0.00008610 0.00000284 0.00002203 -0.00004029 0.00000781 0.00000003 -0.00001893 -0.00000229 -0.00000748 -0.00000600 0.00033111 0.00066769 0.00026240 0.00005226 0.00009857 0.00004533 -0.00001312 -0.00064670 -0.00029534 0.00000579 0.00000261 -0.00009248 0.00000216 -0.00003118 0.00002191 0.00001871 -0.00002007 0.00002493 -0.00000258 0.00000400 0.00000756 0.00000666 -0.00003656 0.00008548 0.00001295 -0.00000313 -0.00002811 -0.00000319 -0.00001482 -0.00003318 -0.00000388 0.00000878 -0.00000635 -0.00090044 -0.00011814 0.00005546 -0.00094751 0.00014459 0.00012022 -0.00031086 0.00000602 -0.00016689 0.00053610 0.00039174 -0.00010515 0.00055010 -0.00040389 -0.00015717 0.00017492 0.00000050 0.00001947 0.00009325 0.00000212 0.00013957 -0.00063342 0.00084188 0.00046003 -0.08189568 0.09208009 0.00000275 -0.00016994 -0.00035933 0.00010574 0.00017143 0.00011688 0.00021918 0.00000422 0.00000442 0.00022499 -0.00006780 -0.00012907 0.00001902 0.00006332 -0.00018200 0.00020082 0.00044153 0.00504456 -0.00000147 -0.00015597 -0.00107723 0.00375745 -0.00170588 0.00304091 -0.00029848 -0.00048688 0.00341234 0.01011112 -0.00641007 -0.02154185 -0.00040499 -0.00002165 -0.00266154 0.00292830 -0.00163607 0.00187795 0.00019433 -0.00003374 0.00044507 0.00000546 -0.00001255 -0.00001023 0.00000970 -0.00026362 0.00012351 -0.00000712 0.00010756 -0.00002869 -0.00000403 -0.00000522 -0.00001666 0.00000219 0.00000271 0.00000359 0.00000125 0.00000539 0.00000484 -0.00000123 0.00000069 0.00000178 -0.00000286 0.00000722 0.00001661 0.00000282 0.00000288 -0.00000734 0.00000230 0.00000129 -0.00000551 0.00000048 -0.00000126 -0.00000139 0.00013640 0.00000559 0.00003062 0.00001285 0.00003022 0.00008407 -0.00009736 0.00001242 -0.00006823 0.00000444 -0.00000776 -0.00001089 -0.00000198 -0.00000606 0.00000315 0.00000309 -0.00000205 0.00000284 -0.00000017 0.00000279 0.00000041 -0.00000976 -0.00000503 0.00000751 0.00000092 0.00000435 0.00000125 -0.00000303 -0.00000279 -0.00000602 -0.00000167 0.00000141 -0.00000228 -0.00016653 -0.00001941 0.00001679 -0.00023088 0.00002730 -0.00001025 -0.00006124 0.00000201 -0.00003213 0.00010007 0.00007389 -0.00002609 0.00012586 -0.00009694 -0.00001447 0.00003295 0.00000213 0.00000315 0.00001814 0.00000086 0.00002899 -0.00026897 0.00035025 0.00019165 -0.01659577 0.00990983 0.01242413 0.00104360 -0.00025164 0.00063579 -0.00079514 -0.00016501 0.00065779 -0.00114215 -0.00030372 0.00016407 -0.00115338 0.00028238 0.00002372 -0.00196593 -0.00178550 0.00037435 -0.00013393 -0.00158245 -0.00033950 0.00115766 0.00792175 0.00049143 0.00258790 -0.00206336 -0.00015541 -0.04263633 -0.02309854 0.00289474 -0.01811500 -0.00949990 0.00132988 -0.00067227 0.00010183 0.00002494 -0.12581941 -0.05391207 0.00627498 0.00164566 -0.00093889 -0.00032184 -0.00010780 0.00013928 -0.00003071 -0.00059850 0.00143655 -0.00032568 0.00036747 -0.00109015 0.00031003 -0.00002168 -0.00001005 0.00014639 -0.00002851 -0.00003188 -0.00004397 -0.00000496 -0.00004644 -0.00004154 0.00000493 0.00000630 -0.00001413 -0.00000952 -0.00006084 -0.00014496 0.00000218 -0.00002917 0.00005547 -0.00002299 -0.00001009 0.00004632 0.00000546 0.00001338 0.00000880 -0.00005528 -0.00153056 -0.00051826 -0.00017365 -0.00003646 0.00004780 0.00029797 0.00084888 0.00028143 0.00001459 -0.00000061 0.00016336 -0.00001088 0.00005820 -0.00003998 -0.00002331 0.00002905 -0.00003781 0.00000361 -0.00000733 -0.00001372 0.00001290 0.00008448 -0.00015432 -0.00001713 0.00000412 0.00004781 -0.00000419 0.00003026 0.00006747 0.00000461 -0.00001367 0.00001353 0.00138690 0.00014798 -0.00010375 0.00146114 -0.00017860 -0.00016491 0.00048215 -0.00002576 0.00026020 -0.00085610 -0.00060595 0.00017985 -0.00085374 0.00060562 0.00023418 -0.00028154 0.00000360 -0.00003106 -0.00014923 0.00000422 -0.00021294 0.00092912 -0.00128399 -0.00021197 0.00313847 0.00346507 -0.00020165 0.18192912 0.00063502 -0.00050076 0.00051744 -0.00049607 0.00026741 0.00047176 -0.00071917 -0.00014194 0.00013565 -0.00082722 0.00017982 0.00002303 0.00020440 -0.00022000 0.00021573 -0.00026790 -0.00017296 -0.00007931 0.00175280 0.00085860 -0.00026192 0.00477621 -0.00507499 -0.00083933 0.00015134 0.00475257 0.00003662 -0.03370334 -0.01896327 0.00188065 -0.00156061 0.00006058 0.00004212 -0.05027292 -0.06867635 0.00230875 0.00139850 0.00102570 0.00007495 -0.00005709 0.00009911 -0.00007087 -0.00025483 0.00070439 -0.00020873 -0.00000941 -0.00069487 0.00025882 -0.00001580 -0.00000648 0.00009550 -0.00001787 -0.00002179 -0.00002861 -0.00000357 -0.00002904 -0.00002565 0.00000303 0.00000457 -0.00000785 -0.00000602 -0.00002594 -0.00008904 0.00000432 -0.00001674 0.00003024 -0.00001446 -0.00000447 0.00002718 0.00000366 0.00000812 0.00000657 -0.00005748 -0.00046715 -0.00020827 -0.00014049 -0.00008914 0.00001537 0.00007543 0.00039147 0.00014713 0.00003617 0.00001338 0.00008734 -0.00000865 0.00003731 -0.00002658 -0.00001023 0.00000810 -0.00001511 0.00000154 -0.00000438 -0.00000652 0.00003387 0.00005861 -0.00007882 -0.00000784 -0.00000209 0.00001731 -0.00000404 0.00001916 0.00004409 0.00000177 -0.00000783 0.00000667 0.00088702 0.00013896 -0.00006175 0.00096832 -0.00010338 -0.00010371 0.00031525 -0.00001348 0.00016490 -0.00053465 -0.00039500 0.00010814 -0.00056177 0.00039957 0.00015352 -0.00017772 0.00000100 -0.00001938 -0.00009788 0.00000108 -0.00013780 0.00066561 -0.00088966 -0.00026413 -0.00349807 -0.00495528 0.00010794 0.08199719 0.09149836 -0.00013629 0.00004892 -0.00028854 0.00007498 0.00005805 -0.00017623 0.00013606 0.00006026 -0.00011057 0.00012346 0.00000896 0.00002852 0.00032817 -0.00014573 0.00014469 -0.00005384 0.00015862 -0.00101909 0.00023248 -0.00069004 0.00503657 0.00014188 -0.00018401 0.00339831 0.00374407 0.00187286 0.00325122 0.00033632 -0.00009127 0.00220186 0.00006635 0.00000905 0.00043175 0.00641579 0.00274601 -0.02108142 -0.00031348 0.00026886 -0.00262453 -0.00000311 -0.00001247 0.00009600 0.00015327 -0.00005699 0.00000466 -0.00013073 -0.00003297 -0.00005512 0.00001095 0.00000812 -0.00000881 0.00000154 0.00000387 0.00000316 -0.00000109 0.00000406 0.00000304 -0.00000058 -0.00000201 -0.00000017 -0.00000510 -0.00000101 0.00000421 -0.00000272 0.00000114 -0.00000258 0.00000035 -0.00000381 0.00000142 -0.00000149 -0.00000072 -0.00000248 0.00000287 0.00023929 0.00014744 -0.00000744 0.00000122 0.00001285 0.00000182 -0.00009293 -0.00004221 0.00000257 0.00000687 -0.00001230 0.00000009 -0.00000294 0.00000252 0.00000165 -0.00000374 0.00000265 -0.00000139 -0.00000090 0.00000032 0.00000271 0. 0.00000765 0.00000238 -0.00000121 -0.00000411 0.00000205 0.00000001 -0.00000255 0.00000070 0.00000052 -0.00000123 -0.00011743 0.00001305 -0.00002901 -0.00006824 0.00000067 0.00001471 -0.00002446 0.00000178 -0.00001383 0.00007222 0.00004531 0.00000466 0.00004299 -0.00002712 -0.00001844 0.00001563 -0.00000294 0.00000150 0.00000879 -0.00000063 0.00001386 -0.00012802 0.00001451 -0.00000601 -0.00046575 -0.00045936 -0.00083372 -0.01049906 -0.00363122 0.01142682 0.00336132 -0.00397964 -0.01412905 0.00258062 0.00681183 -0.00219243 -0.00030211 0.00018786 0.00121978 0.00300583 -0.00077004 -0.00102053 0.00174449 -0.00379598 -0.00031484 -0.00114532 -0.00095190 -0.00024231 -0.00261439 0.00148760 0.00030576 0.00125241 -0.00027705 -0.00030474 0.00153224 0.00022249 -0.00012860 -0.00058639 -0.00232259 0.00004451 0.00000971 0.00001029 -0.00006248 -0.00060339 0.00235241 0.00015397 -0.00002865 -0.00001377 -0.00002022 0.00006324 0.00037104 -0.00064636 -0.00087741 -0.00607389 -0.00022656 -0.00139148 0.00307959 0.00015864 0.00010847 -0.00009796 -0.00022356 0.00004102 0.00007242 0.00008720 0.00000256 0.00002008 0.00003421 -0.00000863 0.00001274 0.00005497 0.00018976 0.00002862 0.00035197 0.00000296 0.00002089 -0.00005790 0.00002550 0.00007801 -0.00014682 -0.00002561 -0.00002145 -0.00000864 -0.00029663 0.00412933 0.00050053 -0.00001338 -0.00022888 -0.00053889 -0.00095435 -0.00188797 -0.00031602 0.00005748 0.00022747 -0.00027326 -0.00001143 -0.00000172 0.00009606 0.00002456 -0.00003292 0.00007133 0.00002550 -0.00005314 0.00018145 0.00002138 -0.00002367 0.00031420 0.00001904 -0.00003133 -0.00009330 0.00001484 -0.00001762 -0.00007374 -0.00000745 0.00001035 -0.00002513 -0.00036405 0.00036515 -0.00009410 -0.00071789 -0.00068397 0.00016464 -0.00014345 0.00000284 -0.00149049 0.00036662 0.00001914 -0.00003579 0.00061200 -0.00004874 -0.00026896 -0.00023105 -0.00000540 0.00039365 -0.00210296 -0.00088056 0.00255587 -0.07483391 0.03482370 -0.03462942 -0.00059911 0.00041393 0.00009953 -0.00058467 -0.00041293 0.00002503 0.31500514 -0.00659664 -0.00502305 0.01352754 -0.00375629 -0.00990836 0.00122989 -0.00361031 -0.00018383 -0.00135131 -0.00566832 0.00322450 0.00099456 -0.00380541 0.00936596 -0.00173314 0.00321404 0.00205217 -0.00001862 0.00494355 -0.00273548 0.00000599 -0.00221442 0.00071382 0.00069859 -0.00256872 -0.00069660 0.00064051 0.00086081 0.00502873 0.00006145 -0.00000709 -0.00002345 0.00006641 0.00090238 -0.00501033 -0.00029652 0.00004839 0.00003481 0.00003005 -0.00052130 -0.00038382 0.00100202 0.00099619 0.01217734 0.00032376 0.00279916 -0.00573550 -0.00021821 0.00001480 0.00016399 0.00066651 -0.00009552 -0.00014477 -0.00016603 -0.00006988 -0.00017398 -0.00018082 0.00002259 -0.00001065 -0.00009437 -0.00008992 -0.00027840 -0.00097028 -0.00007879 -0.00013346 0.00027544 -0.00004432 -0.00013255 0.00031477 0.00002060 0.00005226 0.00004508 0.00073023 -0.00909180 -0.00102524 -0.00092093 0.00043288 0.00076355 0.00228884 0.00461523 0.00067441 0.00007383 -0.00020731 0.00134062 -0.00008406 0.00021555 -0.00035337 -0.00005711 0.00014031 -0.00023101 0.00024123 -0.00010488 -0.00063545 0.00016214 0.00039180 -0.00091749 -0.00004793 0.00006558 0.00024816 -0.00008020 0.00012534 0.00033958 0.00001723 -0.00004989 0.00004578 0.00435355 0.00015880 -0.00041371 0.00523224 -0.00043984 -0.00002329 0.00123361 -0.00008159 0.00096210 -0.00257978 -0.00160182 0.00064755 -0.00284003 0.00186785 0.00061832 -0.00090880 -0.00001020 -0.00009687 -0.00043509 0.00015141 -0.00071874 0.07480613 -0.13210053 0.08075874 0.00149338 -0.00100885 -0.00025067 0.00155420 0.00106712 -0.00014656 0.17568517 0.39792099 -0.00792077 0.01088847 -0.01441750 0.00490684 0.00614622 0.00049728 0.00084879 -0.00016437 0.00141244 0.00277639 -0.00039717 0.00248807 0.00494499 -0.00788865 0.00182739 -0.00451103 -0.00389543 -0.00072306 -0.00516686 0.00373007 -0.00057115 0.00288129 -0.00044827 -0.00043747 0.00307807 0.00056453 -0.00042968 -0.00106748 -0.00498517 -0.00003490 -0.00003310 0.00002743 -0.00005032 -0.00108110 0.00509771 0.00039105 -0.00001213 -0.00001517 -0.00005185 0.00027269 0.00024266 -0.00104276 0.00072160 -0.00694403 0.00037242 -0.00180941 0.00277877 -0.00007915 0.00011012 -0.00016430 -0.00031274 0.00003820 0.00008407 0.00009030 -0.00000127 0.00005344 0.00006018 -0.00001501 0.00001629 0.00007938 0.00003922 0.00021924 0.00053475 0.00007452 0.00006128 -0.00016885 0.00001830 0.00009038 -0.00017661 -0.00001485 -0.00002763 -0.00000674 0.00005131 0.00702085 0.00063837 0.00075593 0.00013228 -0.00151475 -0.00192425 -0.00322891 -0.00038931 0.00008774 0.00029731 -0.00020652 -0.00003756 -0.00010812 0.00009693 0.00005855 -0.00006941 0.00007799 -0.00001147 -0.00004312 0.00005087 -0.00024919 -0.00050483 0.00074731 0.00003514 -0.00005206 -0.00018203 0.00009891 -0.00014335 -0.00032655 -0.00002053 0.00004858 -0.00002479 -0.00085269 0.00007469 0.00005011 -0.00540246 0.00066571 -0.00051284 -0.00102325 -0.00022707 -0.00035845 0.00090729 0.00054215 -0.00020816 0.00257724 -0.00183399 -0.00021887 0.00068959 0.00015772 0.00001095 0.00035465 0.00013554 0.00002051 -0.05731636 0.06643293 -0.08206737 -0.00123811 0.00091778 0.00014264 -0.00116679 -0.00085104 0.00006487 0.09730664 -0.06723040 0.11457167 -0.00035410 0.00061952 0.00159303 0.00067181 0.00132518 0.00003026 0.00068918 0.00006118 -0.00013881 0.00049377 -0.00001822 0.00010912 0.00057419 -0.00151113 0.00026553 -0.00072582 -0.00044384 -0.00016760 -0.00107620 0.00060532 0.00004167 0.00050223 -0.00011141 -0.00011715 0.00055786 0.00009609 -0.00006996 -0.00020463 -0.00094192 0.00000101 -0.00000138 0.00000349 -0.00001795 -0.00023218 0.00096221 0.00006058 0.00000234 -0.00000651 -0.00000289 0.00008032 -0.00002859 -0.00016720 0.00000197 -0.00160752 0.00006547 -0.00041298 0.00073425 0.00000486 0.00000758 -0.00003302 -0.00007543 0.00001450 0.00001709 0.00002037 0.00000036 0.00002202 0.00002092 0.00000112 0.00000500 0.00001244 0.00001288 0.00005414 0.00012970 0.00000961 0.00002091 -0.00004091 0.00000569 0.00001604 -0.00004262 -0.00000169 -0.00000893 -0.00000363 0.00002669 0.00125590 0.00039532 0.00012497 -0.00002214 -0.00005171 -0.00037688 -0.00061745 -0.00014922 -0.00001005 -0.00001499 -0.00000920 0.00001750 -0.00004193 -0.00000545 0.00001586 -0.00003181 0.00000371 0.00005414 -0.00019944 -0.00014014 -0.00001840 -0.00003819 0.00009250 0.00000647 -0.00000796 -0.00002912 0.00000932 -0.00001621 -0.00004013 -0.00000494 0.00000634 -0.00001121 -0.00072434 0.00002503 0.00002304 -0.00071135 0.00006609 0.00004174 -0.00022680 0.00000096 -0.00034553 0.00043875 0.00026053 -0.00007760 0.00039347 -0.00025599 -0.00009566 0.00007983 -0.00000612 0.00008220 -0.00035332 -0.00011303 0.00055221 0.01414217 0.02909118 -0.00608023 -0.00023768 0.00016906 0.00003703 -0.00023821 -0.00017339 0.00001301 -0.24162302 -0.24461344 -0.03275833 0.22859936 0.00008100 0.00004316 -0.00000717 0.00068301 0.00161226 -0.00026924 0.00017283 -0.00004067 0.00035868 0.00079802 -0.00005628 -0.00001682 0.00065523 -0.00129846 0.00077674 -0.00044979 -0.00034919 0.00001849 -0.00055628 0.00034863 0.00006827 0.00037280 -0.00007585 -0.00007013 0.00031934 0.00007910 -0.00008369 -0.00014671 -0.00062721 -0.00000228 -0.00000061 0.00000260 -0.00000905 -0.00013424 0.00061448 0.00004243 -0.00000133 -0.00000317 -0.00000578 0.00003433 0.00004699 -0.00011813 -0.00011969 -0.00141381 0.00010272 -0.00035137 0.00070696 -0.00004087 -0.00000010 -0.00001048 -0.00008392 0.00000863 0.00002001 0.00002160 0.00001026 0.00001645 0.00001619 -0.00000181 -0.00000151 0.00000958 0.00001694 0.00001127 0.00010175 0.00000641 0.00001009 -0.00002631 0.00000632 0.00001575 -0.00003485 -0.00000398 -0.00000613 -0.00000562 -0.00014342 0.00108266 0.00025227 0.00007097 0.00013764 -0.00010905 -0.00030788 -0.00062687 -0.00011276 0.00005039 -0.00011735 -0.00036013 -0.00000115 -0.00002924 0.00003909 0.00001974 -0.00001192 0.00005724 -0.00025886 -0.00002999 0.00031515 -0.00000423 -0.00009351 0.00009437 0.00000558 -0.00000600 -0.00003149 0.00000680 -0.00001800 -0.00004293 -0.00000459 0.00000776 0.00000944 -0.00031758 -0.00005797 0.00005119 -0.00080325 0.00003806 0.00004360 -0.00021452 -0.00000970 -0.00002793 0.00021819 0.00014980 -0.00007264 0.00043319 -0.00029920 -0.00007845 0.00013730 0.00001161 -0.00000287 0.00024253 0.00004299 -0.00007891 -0.00782367 -0.03012900 0.00853075 -0.00015883 0.00011162 0.00002213 -0.00017169 -0.00011801 0.00001857 -0.20781986 -0.26469551 -0.00720361 0.21544565 0.29501514 0.00250206 0.00385541 0.00018463 -0.00035527 -0.00022865 -0.00046206 0.00023593 -0.00024635 0.00016575 0.00014684 -0.00049201 -0.00052372 -0.00110099 0.00094639 -0.00122677 0.00058159 0.00028432 0.00045804 0.00027470 -0.00030692 0.00002356 -0.00034953 0.00001747 0.00007624 -0.00037735 -0.00000381 -0.00013450 0.00015041 0.00038446 -0.00004554 0.00000427 -0.00000052 0.00001644 0.00012803 -0.00040511 -0.00002777 0.00000383 -0.00000333 0.00000867 -0.00007933 0.00001380 0.00017171 -0.00012785 -0.00014685 -0.00001945 0.00003888 0.00003856 -0.00000946 -0.00003087 0.00002057 -0.00003354 0.00000050 0.00000718 0.00000068 0.00002310 0.00001238 0.00000802 -0.00000607 -0.00001908 -0.00001583 -0.00001741 -0.00003940 -0.00000566 0.00000076 -0.00000046 0.00000469 0.00000008 -0.00000461 0.00000464 0.00000202 0.00000252 -0.00000334 -0.00037459 -0.00065628 -0.00017046 0.00015184 -0.00001401 0.00002368 0.00017719 0.00006053 0.00007080 -0.00005853 -0.00006494 -0.00020990 0.00001064 -0.00000808 0.00004170 0.00000180 0.00001392 0.00003006 0.00000396 0.00001961 0.00004916 0. -0.00001939 0.00000213 -0.00000415 0.00000317 0.00000029 -0.00000236 -0.00000186 -0.00000289 0.00000139 -0.00000016 0.00000528 -0.00025346 -0.00016038 0.00023281 -0.00018048 0.00005113 -0.00006537 0.00000892 0.00001874 0.00003108 0.00002491 0.00007993 -0.00009301 0.00005465 -0.00006170 0.00001410 0.00000283 0.00000354 -0.00001049 0.00005942 0.00001068 -0.00001589 0.00814208 0.02831978 -0.00817914 0.00005987 -0.00005355 -0.00000476 0.00003965 0.00003821 0.00002770 -0.04655583 -0.02920921 -0.01971306 0.03704193 -0.00205564 0.02932076</array>
                  <array dataType="xsd:double" dictRef="cc:forces" size="141">0.00002139 -0.00001031 -0.00001570 -0.00001613 0.00002260 0.00001466 -0.00001785 0.00001732 0.00000798 -0.00001352 -0.00000188 0.00000730 0.00001427 -0.00000890 -0.00000214 0.00000479 -0.00001139 0.00000266 -0.00000675 -0.00000724 0.00001517 -0.00000351 -0.00000650 0.00000931 0.00000950 -0.00000681 0.00001360 -0.00000259 -0.00001330 0.00001679 -0.00000368 -0.00000816 0.00000791 0.00000142 -0.00000785 0.00001958 0.00000459 -0.00000881 0.00001833 -0.00001350 0.00000423 -0.00001635 0.00000308 -0.00003751 0.00000054 -0.00001979 0.00001092 -0.00000212 -0.00000384 0.00000310 -0.00001126 -0.00000604 0.00000688 -0.00001663 -0.00000897 0.00000298 -0.00001150 -0.00000144 0.00000682 -0.00001004 -0.00001399 -0.00000199 -0.00000926 -0.00001678 -0.00000208 -0.00000982 -0.00001479 0.00000275 -0.00001494 -0.00001454 -0.00000236 -0.00000800 0.00000160 -0.00000191 0.00000257 0.00000393 0.00001159 -0.00000091 0.00000571 -0.00000451 0.00001393 0.00001136 0.00000072 0.00000117 0.00001239 0.00000282 0.00000672 0.00001180 0.00000656 -0.00000014 0.00001784 0.00000028 0.00000220 0.00000314 -0.00000245 0.00000015 0.00000040 0.00000078 -0.00000008 0.00000163 -0.00000327 0.00000739 -0.00000357 -0.00000400 0.00000131 0.00000277 0.00000382 -0.00001373 0.00001085 0.00000793 -0.00000756 -0.00000644 0.00000135 -0.00001582 -0.00001238 0.00000501 -0.00002054 0.00000288 0.00000970 -0.00000738 0.00000390 0.00001073 -0.00001817 0.00000894 0.00001510 -0.00000944 0.00001008 0.00001867 0.00000477 -0.00000228 -0.00001455 0.00001928 0.00000465 -0.00001555 0.00002575 0.00001472 0.00000424 -0.00000343 0.00001474 0.00000442 0.00000591</array>
               </module>
            </module>
            <molecule formalCharge="-1" id="mol9999" spinMultiplicity="3">
               <atomArray>
                  <atom elementType="Fe"
                        id="a1"
                        x3="0.75080132"
                        y3="0.02822434"
                        z3="0.18319312">
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.47" size="3">-0.000021390 0.000010310 0.000015695</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.48" size="3">0.000016133 -0.000022604 -0.000014658</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.49" size="3">0.000017851 -0.000017324 -0.000007976</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.50" size="3">0.000013519 0.000001885 -0.000007296</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.51" size="3">-0.000014274 0.000008904 0.000002143</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.52" size="3">-0.000004787 0.000011386 -0.000002656</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.53" size="3">0.000006755 0.000007235 -0.000015168</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.54" size="3">0.000003509 0.000006502 -0.000009309</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.55" size="3">-0.000009503 0.000006807 -0.000013601</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.56" size="3">0.000002586 0.000013296 -0.000016791</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.57" size="3">0.000003676 0.000008161 -0.000007911</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.58" size="3">-0.000001418 0.000007850 -0.000019583</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.59" size="3">-0.000004586 0.000008810 -0.000018325</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.60" size="3">0.000013498 -0.000004232 0.000016354</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.61" size="3">-0.000003083 0.000037512 -0.000000537</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.62" size="3">0.000019788 -0.000010918 0.000002125</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.63" size="3">0.000003844 -0.000003100 0.000011264</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.64" size="3">0.000006037 -0.000006876 0.000016633</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.65" size="3">0.000008974 -0.000002979 0.000011505</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.66" size="3">0.000001436 -0.000006822 0.000010041</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.67" size="3">0.000013990 0.000001989 0.000009259</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.68" size="3">0.000016780 0.000002078 0.000009822</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.69" size="3">0.000014794 -0.000002751 0.000014936</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.70" size="3">0.000014537 0.000002363 0.000007996</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.71" size="3">-0.000001598 0.000001905 -0.000002575</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.72" size="3">-0.000003934 -0.000011594 0.000000912</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.73" size="3">-0.000005711 0.000004506 -0.000013934</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.74" size="3">-0.000011357 -0.000000718 -0.000001166</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.75" size="3">-0.000012386 -0.000002818 -0.000006717</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.76" size="3">-0.000011803 -0.000006560 0.000000144</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.77" size="3">-0.000017844 -0.000000281 -0.000002205</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.78" size="3">-0.000003143 0.000002450 -0.000000152</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.79" size="3">-0.000000396 -0.000000779 0.000000082</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.80" size="3">-0.000001632 0.000003269 -0.000007392</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.81" size="3">0.000003567 0.000003996 -0.000001313</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.82" size="3">-0.000002773 -0.000003817 0.000013732</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.83" size="3">-0.000010849 -0.000007929 0.000007558</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.84" size="3">0.000006442 -0.000001346 0.000015818</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.85" size="3">0.000012376 -0.000005012 0.000020540</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.86" size="3">-0.000002878 -0.000009697 0.000007381</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.87" size="3">-0.000003903 -0.000010730 0.000018169</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.88" size="3">-0.000008936 -0.000015101 0.000009442</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.89" size="3">-0.000010078 -0.000018668 -0.000004771</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.90" size="3">0.000002277 0.000014555 -0.000019285</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.91" size="3">-0.000004647 0.000015554 -0.000025749</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.92" size="3">-0.000014722 -0.000004244 0.000003430</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.93" size="3">-0.000014736 -0.000004422 -0.000005911</array>
                     </property>
                  </atom>
                  <atom elementType="N"
                        id="a2"
                        x3="-0.58278638"
                        y3="1.27260296"
                        z3="-0.16896782"/>
                  <atom elementType="N"
                        id="a3"
                        x3="1.9415673"
                        y3="1.48810384"
                        z3="-0.15393463"/>
                  <atom elementType="N"
                        id="a4"
                        x3="1.92094733"
                        y3="-1.39662988"
                        z3="-0.35147819"/>
                  <atom elementType="N"
                        id="a5"
                        x3="-0.59286539"
                        y3="-1.19905039"
                        z3="-0.22997739"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-1.8762832"
                        y3="0.74976532"
                        z3="-0.07902525"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-1.88247882"
                        y3="-0.67238771"
                        z3="-0.12883331"/>
                  <atom elementType="C"
                        id="a8"
                        x3="-3.0767636"
                        y3="1.45752802"
                        z3="0.04916791"/>
                  <atom elementType="C"
                        id="a9"
                        x3="-3.09011508"
                        y3="-1.37543691"
                        z3="-0.05924257"/>
                  <atom elementType="C"
                        id="a10"
                        x3="-4.2747436"
                        y3="0.74559463"
                        z3="0.11213013"/>
                  <atom elementType="H"
                        id="a11"
                        x3="-3.07952277"
                        y3="2.5371839"
                        z3="0.09427731"/>
                  <atom elementType="C"
                        id="a12"
                        x3="-4.28136677"
                        y3="-0.65893337"
                        z3="0.05738055"/>
                  <atom elementType="H"
                        id="a13"
                        x3="-3.10325213"
                        y3="-2.45555753"
                        z3="-0.09037318"/>
                  <atom elementType="C"
                        id="a14"
                        x3="1.29014248"
                        y3="2.80897647"
                        z3="-0.36146567"/>
                  <atom elementType="C"
                        id="a15"
                        x3="-0.22573049"
                        y3="2.58688993"
                        z3="-0.30353536"/>
                  <atom elementType="O"
                        id="a16"
                        x3="-1.03109445"
                        y3="3.52504144"
                        z3="-0.42038106"/>
                  <atom elementType="C"
                        id="a17"
                        x3="1.67519537"
                        y3="3.80267526"
                        z3="0.75132643"/>
                  <atom elementType="H"
                        id="a18"
                        x3="2.74217984"
                        y3="4.0276332"
                        z3="0.70232397"/>
                  <atom elementType="H"
                        id="a19"
                        x3="1.11402268"
                        y3="4.73145397"
                        z3="0.61720425"/>
                  <atom elementType="H"
                        id="a20"
                        x3="1.44048855"
                        y3="3.38787102"
                        z3="1.736019"/>
                  <atom elementType="C"
                        id="a21"
                        x3="1.59207912"
                        y3="3.38471658"
                        z3="-1.76327593"/>
                  <atom elementType="H"
                        id="a22"
                        x3="0.99161598"
                        y3="4.28586472"
                        z3="-1.91475865"/>
                  <atom elementType="H"
                        id="a23"
                        x3="2.64788139"
                        y3="3.64300099"
                        z3="-1.84761617"/>
                  <atom elementType="H"
                        id="a24"
                        x3="1.33661887"
                        y3="2.65678835"
                        z3="-2.5394548"/>
                  <atom elementType="C"
                        id="a25"
                        x3="-0.24659281"
                        y3="-2.48605237"
                        z3="-0.5361285"/>
                  <atom elementType="C"
                        id="a26"
                        x3="1.26816478"
                        y3="-2.70192323"
                        z3="-0.6410235"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-1.05642938"
                        y3="-3.40275226"
                        z3="-0.75535462"/>
                  <atom elementType="C"
                        id="a28"
                        x3="1.66500062"
                        y3="-3.7686699"
                        z3="0.39943476"/>
                  <atom elementType="H"
                        id="a29"
                        x3="1.09976065"
                        y3="-4.68507272"
                        z3="0.20855419"/>
                  <atom elementType="H"
                        id="a30"
                        x3="2.73084459"
                        y3="-3.99212189"
                        z3="0.32611086"/>
                  <atom elementType="H"
                        id="a31"
                        x3="1.4397602"
                        y3="-3.42058301"
                        z3="1.41226278"/>
                  <atom elementType="C"
                        id="a32"
                        x3="1.55449664"
                        y3="-3.1806409"
                        z3="-2.08004594"/>
                  <atom elementType="H"
                        id="a33"
                        x3="2.61107932"
                        y3="-3.42374766"
                        z3="-2.19546966"/>
                  <atom elementType="H"
                        id="a34"
                        x3="0.95926565"
                        y3="-4.07491148"
                        z3="-2.28385627"/>
                  <atom elementType="H"
                        id="a35"
                        x3="1.28296623"
                        y3="-2.40533572"
                        z3="-2.80308851"/>
                  <atom elementType="C"
                        id="a36"
                        x3="3.27432815"
                        y3="1.39094903"
                        z3="-0.21145121"/>
                  <atom elementType="C"
                        id="a37"
                        x3="3.25807657"
                        y3="-1.31130056"
                        z3="-0.37182622"/>
                  <atom elementType="C"
                        id="a38"
                        x3="3.84536338"
                        y3="0.00880957"
                        z3="0.19637583"/>
                  <atom elementType="O"
                        id="a39"
                        x3="4.09426135"
                        y3="2.28929672"
                        z3="-0.49286563"/>
                  <atom elementType="O"
                        id="a40"
                        x3="4.07136056"
                        y3="-2.19047537"
                        z3="-0.7211285"/>
                  <atom elementType="F"
                        id="a41"
                        x3="5.18606584"
                        y3="0.01555859"
                        z3="-0.06485801"/>
                  <atom elementType="F"
                        id="a42"
                        x3="3.7418372"
                        y3="-0.07413289"
                        z3="1.59059681"/>
                  <atom elementType="O"
                        id="a43"
                        x3="0.36717645"
                        y3="0.24276667"
                        z3="1.96966838"/>
                  <atom elementType="Cl"
                        id="a44"
                        x3="-5.76414761"
                        y3="1.64515151"
                        z3="0.26326404"/>
                  <atom elementType="Cl"
                        id="a45"
                        x3="-5.77887759"
                        y3="-1.55351606"
                        z3="0.14097191"/>
                  <atom elementType="O"
                        id="a46"
                        x3="1.00125452"
                        y3="-0.75932357"
                        z3="2.74688448"/>
                  <atom elementType="H"
                        id="a47"
                        x3="0.36637312"
                        y3="-1.50356164"
                        z3="2.70187585"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a43" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a3 a36" order="S"/>
                  <bond atomRefs2="a4 a26" order="S"/>
                  <bond atomRefs2="a4 a37" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a25" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a10 a44" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a12 a45" order="S"/>
                  <bond atomRefs2="a14 a21" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a32" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a40" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a41" order="S"/>
                  <bond atomRefs2="a43 a46" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
               </bondArray>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">520.9529063999997</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C17H14Cl2F2N4O4.Fe.H2O2/c1-15(2)11(26)22-9-5-7(18)8(19)6-10(9)23-12(27)16(3,4)25-14(29)17(20,21)13(28)24-15;;1-2/h5-6H,1-4H3;;1-2H/q-4;+5;/p-1">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:17,21,28,32,8,9,10,12,6,7,15,25,36,37,14,26,38,44,45,41,42,2,5,3,4,16,27,39,40;1;43,46/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29);;(1,2)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,22-1,23-1,24-1,25-1,26.1,27.1,28.1,29.1;;/rA:47FeNNNNC3C3C3C3C3HC3HCC3O1CHHHCHHHC3CO1CHHHCHHHC3C3CO1O1FFOClClOH/rB:s1;s1;s1;s1;s2;s5s6;s6;s7;s8;s8;s9s10;s9;s3;s2s14;s15;s14;s17;s17;s17;s14;s21;s21;s21;s5;s4s25;s25;s26;s28;s28;s28;s26;s32;s32;s32;s3;s4;s36s37;s36;s37;s38;s38;s1;s10;s12;s43;s46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
