<?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:run.date">
                  <scalar dataType="xsd:string">6-Apr-2017</scalar>
               </parameter>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 09</scalar>
               </parameter>
               <parameter dictRef="cc:program.date">
                  <scalar dataType="xsd:string">24-Apr-2013</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">EM64L-G09RevD.01</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:degfreedom">
                  <scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">96</scalar>
               </parameter>
               <parameter dictRef="cc:frameworkgroup">
                  <scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C3H24CoN5Si)]</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RB3LYP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">GenECP</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">SP</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#p</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">B3LYP/genecp</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">scf=(xqc,maxcyc=1000,conver=8)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">5D</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">7F</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">scf=nosymempiricaldispersion=gd3</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">scrf=(pcm)</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="mol"
                      formalCharge="2"
                      id="zmat"
                      spinMultiplicity="1">
               <atomArray>
                  <atom elementType="Si"
                        id="a1"
                        x3="1.62028"
                        y3="0.01788"
                        z3="0.01307"/>
                  <atom elementType="C"
                        id="a2"
                        x3="2.21513"
                        y3="0.2090"
                        z3="-1.77412"/>
                  <atom elementType="C"
                        id="a3"
                        x3="2.27431"
                        y3="1.45389"
                        z3="1.05549"/>
                  <atom elementType="C"
                        id="a4"
                        x3="2.25242"
                        y3="-1.62399"
                        z3="0.71319"/>
                  <atom elementType="H"
                        id="a5"
                        x3="2.04497"
                        y3="1.2099"
                        z3="-2.18932"/>
                  <atom elementType="H"
                        id="a6"
                        x3="1.80446"
                        y3="-0.53212"
                        z3="-2.47142"/>
                  <atom elementType="H"
                        id="a7"
                        x3="3.30379"
                        y3="0.06068"
                        z3="-1.78085"/>
                  <atom elementType="H"
                        id="a8"
                        x3="3.3675"
                        y3="1.47774"
                        z3="0.94557"/>
                  <atom elementType="H"
                        id="a9"
                        x3="2.08378"
                        y3="1.34258"
                        z3="2.13103"/>
                  <atom elementType="H"
                        id="a10"
                        x3="1.91462"
                        y3="2.43841"
                        z3="0.72982"/>
                  <atom elementType="H"
                        id="a11"
                        x3="3.34573"
                        y3="-1.63334"
                        z3="0.60373"/>
                  <atom elementType="H"
                        id="a12"
                        x3="1.89146"
                        y3="-2.51717"
                        z3="0.18631"/>
                  <atom elementType="H"
                        id="a13"
                        x3="2.05228"
                        y3="-1.75127"
                        z3="1.78382"/>
                  <atom elementType="Co"
                        id="a14"
                        x3="-0.77663"
                        y3="-0.00184"
                        z3="0.00811"/>
                  <atom elementType="N"
                        id="a15"
                        x3="-0.73935"
                        y3="1.40824"
                        z3="-1.44731"/>
                  <atom elementType="N"
                        id="a16"
                        x3="-3.08241"
                        y3="-0.05617"
                        z3="-0.14133"/>
                  <atom elementType="N"
                        id="a17"
                        x3="-0.79313"
                        y3="-1.36194"
                        z3="1.50797"/>
                  <atom elementType="N"
                        id="a18"
                        x3="-0.94847"
                        y3="1.46676"
                        z3="1.39809"/>
                  <atom elementType="N"
                        id="a19"
                        x3="-0.69834"
                        y3="-1.50944"
                        z3="-1.34493"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-0.32578"
                        y3="1.09974"
                        z3="-2.33047"/>
                  <atom elementType="H"
                        id="a21"
                        x3="-1.67334"
                        y3="1.75385"
                        z3="-1.68736"/>
                  <atom elementType="H"
                        id="a22"
                        x3="-0.19629"
                        y3="2.23962"
                        z3="-1.19868"/>
                  <atom elementType="H"
                        id="a23"
                        x3="-3.53833"
                        y3="-0.85547"
                        z3="0.30618"/>
                  <atom elementType="H"
                        id="a24"
                        x3="-3.5461"
                        y3="0.75871"
                        z3="0.2684"/>
                  <atom elementType="H"
                        id="a25"
                        x3="-3.42188"
                        y3="-0.08406"
                        z3="-1.10626"/>
                  <atom elementType="H"
                        id="a26"
                        x3="-0.27387"
                        y3="-1.06126"
                        z3="2.33667"/>
                  <atom elementType="H"
                        id="a27"
                        x3="-1.73634"
                        y3="-1.57972"
                        z3="1.84215"/>
                  <atom elementType="H"
                        id="a28"
                        x3="-0.37369"
                        y3="-2.26328"
                        z3="1.26654"/>
                  <atom elementType="H"
                        id="a29"
                        x3="-0.06517"
                        y3="1.73107"
                        z3="1.84184"/>
                  <atom elementType="H"
                        id="a30"
                        x3="-1.3312"
                        y3="2.34229"
                        z3="1.03031"/>
                  <atom elementType="H"
                        id="a31"
                        x3="-1.5772"
                        y3="1.21215"
                        z3="2.16513"/>
                  <atom elementType="H"
                        id="a32"
                        x3="0.06314"
                        y3="-2.1779"
                        z3="-1.19975"/>
                  <atom elementType="H"
                        id="a33"
                        x3="-1.55682"
                        y3="-2.06792"
                        z3="-1.33301"/>
                  <atom elementType="H"
                        id="a34"
                        x3="-0.58999"
                        y3="-1.20947"
                        z3="-2.3170"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a14" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a9" order="S"/>
                  <bond atomRefs2="a3 a10" order="S"/>
                  <bond atomRefs2="a4 a11" order="S"/>
                  <bond atomRefs2="a4 a12" order="S"/>
                  <bond atomRefs2="a4 a13" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a16 a25" order="S"/>
                  <bond atomRefs2="a16 a23" order="S"/>
                  <bond atomRefs2="a16 a24" order="S"/>
                  <bond atomRefs2="a17 a27" order="S"/>
                  <bond atomRefs2="a17 a26" order="S"/>
                  <bond atomRefs2="a17 a28" order="S"/>
                  <bond atomRefs2="a18 a31" order="S"/>
                  <bond atomRefs2="a18 a30" order="S"/>
                  <bond atomRefs2="a18 a29" order="S"/>
                  <bond atomRefs2="a19 a33" order="S"/>
                  <bond atomRefs2="a19 a32" order="S"/>
                  <bond atomRefs2="a19 a34" order="S"/>
               </bondArray>
               <formula concise="C 3 H 24 Co 1 N 5 Si 1"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">193.08429999999998</scalar>
               </property>
               <list cmlx:templateRef="charge">
                  <list>
                     <scalar dataType="xsd:integer" dictRef="g:charge">2</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:mult">1</scalar>
                  </list>
               </list>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C3H9Si.Co.5H3N/c1-4(2)3;;;;;;/h1-3H3;;5*1H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:2,3,4,1;14;15;16;17;18;19/E:(1,2,3);;;;;;/CRV:4.3;;;;;;/rA:34SiCCCHHHHHHHHHCoN4NN4N4N4HHHHHHHHHHHHHHH/rB:s1;s1;s1;s2;s2;s2;s3;s3;s3;s4;s4;s4;s1;s14;;s14;s14;s14;s15;s15;s15;s16;s16;s16;s17;s17;s17;s18;s18;s18;s19;s19;s19;/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">/mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-4142.inp" -scrdir="/scratch/"</array>
               </module>
               <module cmlx:templateRef="l1" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l1.end">
                     <array dataType="xsd:string" dictRef="g:kk" size="1">mem=3200mb</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">nproc=4</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8) 5D 7F scf=nosym empiric</scalar>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">1/38=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/12=2,17=6,18=5,40=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=7,8=11,11=2,16=1,17=8,25=1,30=1,70=2201,72=1,74=-5,124=31/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4/9=2/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,6=8,7=1000,8=3,13=1,38=5/2,8</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">99/5=1,9=1/99</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l101.title">
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">Bitartekari zentralaren dobletea base handiagoa erabiliz:</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="34">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</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="34">28 12 12 12 1 1 1 1 1 1 1 1 1 59 14 14 14 14 14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="34">27.9769284 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 58.9331978 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250</array>
                     <array cmlx:templateRef="nucspn"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="34">0 0 0 0 1 1 1 1 1 1 1 1 1 7 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="34">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 /mnt/data/applications/G09/g09/l101.exe)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l302.basis" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="basis">
                     <array dataType="xsd:string" dictRef="g:basis" size="11">NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="8">NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="5">One-electron integrals computed using PRISM.</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="6">1 Symmetry operations used in ECPInt.</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="9">ECPInt: NShTT= 5995 NPrTT= 27288 LenC2= 5915 LenP2D= 18887.</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= 257 RedAO= T EigKep= 2.42D-05 NBF= 257</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 257 1.00D-06 EigRej= -1.00D+00 NBFU= 257</array>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.basis2">
                     <scalar dataType="xsd:string" dictRef="cc:diffuse">(5D, 7F)</scalar>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="33">5 6 7 8 9 10 11 12 13 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 2 3 4 15 16 17 18 19 1</array>
                        <scalar dataType="xsd:string" dictRef="cc:basis">6-31+g*</scalar>
                     </module>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="1">14</array>
                        <scalar dataType="xsd:string" dictRef="cc:basis">sdd</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">14</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">2</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">3</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">4</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">5</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">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">6</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">7</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">8</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">9</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">10</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">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">11</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">12</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">13</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">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">27</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:valelectrons">17</scalar>
                           <module cmlx:templateRef="header">
                              <module cmlx:templateRef="params">
                                 <scalar dataType="xsd:string" dictRef="cc:angmomentum">F and up</scalar>
                                 <array dataType="xsd:integer" dictRef="g:powerofr" size="1">2</array>
                                 <array dataType="xsd:double" dictRef="cc:basisexponent" size="1">1.0000000</array>
                                 <array dataType="xsd:double" dictRef="cc:expcoeff" size="1">0.00000000</array>
                                 <array dataType="xsd:double" dictRef="g:socoeff" size="1">0.00000000</array>
                              </module>
                              <module cmlx:templateRef="params">
                                 <scalar dataType="xsd:string" dictRef="cc:angmomentum">S - F</scalar>
                                 <array dataType="xsd:integer" dictRef="g:powerofr" size="2">2 2</array>
                                 <array dataType="xsd:double" dictRef="cc:basisexponent" size="2">23.6600000 10.6100000</array>
                                 <array dataType="xsd:double" dictRef="cc:expcoeff" size="2">283.96056600 47.15684600</array>
                                 <array dataType="xsd:double" dictRef="g:socoeff" size="2">0.00000000 0.00000000</array>
                              </module>
                              <module cmlx:templateRef="params">
                                 <scalar dataType="xsd:string" dictRef="cc:angmomentum">P - F</scalar>
                                 <array dataType="xsd:integer" dictRef="g:powerofr" size="2">2 2</array>
                                 <array dataType="xsd:double" dictRef="cc:basisexponent" size="2">25.0400000 10.4400000</array>
                                 <array dataType="xsd:double" dictRef="cc:expcoeff" size="2">182.21223600 35.23335200</array>
                                 <array dataType="xsd:double" dictRef="g:socoeff" size="2">0.00000000 0.00000000</array>
                              </module>
                              <module cmlx:templateRef="params">
                                 <scalar dataType="xsd:string" dictRef="cc:angmomentum">D - F</scalar>
                                 <array dataType="xsd:integer" dictRef="g:powerofr" size="2">2 2</array>
                                 <array dataType="xsd:double" dictRef="cc:basisexponent" size="2">29.5400000 10.1800000</array>
                                 <array dataType="xsd:double" dictRef="cc:expcoeff" size="2">-26.47533300 -1.82578700</array>
                                 <array dataType="xsd:double" dictRef="g:socoeff" size="2">0.00000000 0.00000000</array>
                              </module>
                           </module>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">15</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">16</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">17</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">18</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">19</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">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">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">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">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">26</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">27</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">28</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">29</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">30</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">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">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">33</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">34</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">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>
                     <scalar dataType="xsd:string" dictRef="g:misc">IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000</scalar>
                     <scalar dataType="xsd:string" dictRef="g:misc">ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000</scalar>
                     <scalar dataType="xsd:string" dictRef="g:misc">IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=131</scalar>
                     <module cmlx:templateRef="natoms">
                        <list cmlx:templateRef="natoms">
                           <list>
                              <scalar dataType="xsd:integer" dictRef="cc:natoms">34</scalar>
                              <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">34</scalar>
                              <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">34</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.dispersion">
                     <scalar dataType="xsd:string" dictRef="g:empdispersion">Grimme-D3</scalar>
                     <scalar dataType="xsd:double" dictRef="g:dispenergy" units="nonsi:hartree">-0.0506779891</scalar>
                  </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">UFF</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="2"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Si"
                                 id="a1"
                                 x3="1.620279"
                                 y3="0.017877"
                                 z3="0.013065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a2"
                                 x3="2.215132"
                                 y3="0.209004"
                                 z3="-1.774122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a3"
                                 x3="2.274308"
                                 y3="1.453886"
                                 z3="1.055487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a4"
                                 x3="2.25242"
                                 y3="-1.623988"
                                 z3="0.713188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a5"
                                 x3="2.044968"
                                 y3="1.209901"
                                 z3="-2.189317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a6"
                                 x3="1.804463"
                                 y3="-0.532117"
                                 z3="-2.47142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a7"
                                 x3="3.303789"
                                 y3="0.060684"
                                 z3="-1.780849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a8"
                                 x3="3.367504"
                                 y3="1.477735"
                                 z3="0.945574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a9"
                                 x3="2.083779"
                                 y3="1.342582"
                                 z3="2.131033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a10"
                                 x3="1.91462"
                                 y3="2.43841"
                                 z3="0.729818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a11"
                                 x3="3.345726"
                                 y3="-1.633341"
                                 z3="0.603727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a12"
                                 x3="1.891463"
                                 y3="-2.517168"
                                 z3="0.186305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="2.052276"
                                 y3="-1.751273"
                                 z3="1.783821">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Co"
                                 id="a14"
                                 x3="-0.776626"
                                 y3="-0.00184"
                                 z3="0.00811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a15"
                                 x3="-0.739351"
                                 y3="1.408242"
                                 z3="-1.447311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a16"
                                 x3="-3.082409"
                                 y3="-0.056166"
                                 z3="-0.141329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a17"
                                 x3="-0.793127"
                                 y3="-1.361936"
                                 z3="1.507966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a18"
                                 x3="-0.948474"
                                 y3="1.466759"
                                 z3="1.398087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a19"
                                 x3="-0.69834"
                                 y3="-1.50944"
                                 z3="-1.344925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-0.32578"
                                 y3="1.099736"
                                 z3="-2.330468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="-1.673341"
                                 y3="1.753847"
                                 z3="-1.687361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-0.196293"
                                 y3="2.239621"
                                 z3="-1.198675">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-3.538331"
                                 y3="-0.855465"
                                 z3="0.306182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="-3.546095"
                                 y3="0.758706"
                                 z3="0.2684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="-3.421877"
                                 y3="-0.084055"
                                 z3="-1.106257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="-0.273867"
                                 y3="-1.061259"
                                 z3="2.336673">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="-1.736342"
                                 y3="-1.579717"
                                 z3="1.842153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="-0.373685"
                                 y3="-2.263278"
                                 z3="1.266541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="-0.065172"
                                 y3="1.731073"
                                 z3="1.841836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.331202"
                                 y3="2.342294"
                                 z3="1.030314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-1.577195"
                                 y3="1.212152"
                                 z3="2.165132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.063135"
                                 y3="-2.177901"
                                 z3="-1.199747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="-1.556821"
                                 y3="-2.067923"
                                 z3="-1.33301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="-0.589986"
                                 y3="-1.209474"
                                 z3="-2.317001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a14" order="S"/>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a2 a7" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a8" order="S"/>
                           <bond atomRefs2="a3 a9" order="S"/>
                           <bond atomRefs2="a3 a10" order="S"/>
                           <bond atomRefs2="a4 a11" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a4 a13" order="S"/>
                           <bond atomRefs2="a14 a18" order="S"/>
                           <bond atomRefs2="a14 a19" order="S"/>
                           <bond atomRefs2="a14 a15" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a21" order="S"/>
                           <bond atomRefs2="a15 a22" order="S"/>
                           <bond atomRefs2="a15 a20" order="S"/>
                           <bond atomRefs2="a16 a25" order="S"/>
                           <bond atomRefs2="a16 a23" order="S"/>
                           <bond atomRefs2="a16 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a17 a26" order="S"/>
                           <bond atomRefs2="a17 a28" order="S"/>
                           <bond atomRefs2="a18 a31" order="S"/>
                           <bond atomRefs2="a18 a30" order="S"/>
                           <bond atomRefs2="a18 a29" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a19 a32" order="S"/>
                           <bond atomRefs2="a19 a34" order="S"/>
                        </bondArray>
                        <formula concise="C 3 H 24 Co 1 N 5 Si 1"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">193.08429999999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C3H9Si.Co.5H3N/c1-4(2)3;;;;;;/h1-3H3;;5*1H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:2,3,4,1;14;15;16;17;18;19/E:(1,2,3);;;;;;/CRV:4.3;;;;;;/rA:34SiCCCHHHHHHHHHCoN4NN4N4N4HHHHHHHHHHHHHHH/rB:s1;s1;s1;s2;s2;s2;s3;s3;s3;s4;s4;s4;s1;s14;;s14;s14;s14;s15;s15;s15;s16;s16;s16;s17;s17;s17;s18;s18;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="595">0.000000 1.893256 0.000000 1.891169 3.091912 0.000000 1.893540 3.089978 3.096927 0.000000 2.540033 1.096876 3.262036 4.061834 0.000000 2.551290 1.097330 4.074805 3.396259 1.781025 0.000000 2.460521 1.098735 3.323499 3.188059 1.752762 1.753933 0.000000 2.460397 3.214714 1.098966 3.304255 3.412972 4.261273 3.073349 0.000000 2.540761 4.068475 1.097948 3.292303 4.322561 4.977458 4.293543 1.752578 0.000000 2.541525 3.366047 1.097599 4.076452 3.169791 4.368534 3.726502 1.755084 1.786857 0.000000 2.460197 3.213510 3.298938 1.098812 4.192504 3.611747 2.925352 3.129877 3.575093 4.317768 0.000000 2.555388 3.373433 4.083052 1.098028 4.422464 3.318358 3.536903 4.326019 4.326271 4.985348 1.752219 0.000000 2.540096 4.065485 3.294361 1.096592 4.955243 4.433377 4.190029 3.585941 3.113437 4.322420 1.754863 1.778908 0.000000 2.396991 3.488757 3.538974 3.507651 3.776029 3.618188 4.455791 4.499088 3.807386 3.703848 4.473292 3.671148 3.770458 0.000000 3.103815 3.205300 3.917681 4.776282 2.888312 3.359283 4.274826 4.753629 4.558390 3.583950 5.490523 4.999873 5.311867 2.026813 0.000000 4.705804 5.549799 5.692718 5.625715 5.664554 5.434829 6.594331 6.718302 5.814604 5.652619 6.660594 5.559072 5.739737 2.311259 3.056141 0.000000 3.156444 4.721184 4.188406 3.158433 5.323442 4.824063 5.442874 5.068616 3.997401 4.730754 4.245163 3.207549 2.885134 2.024772 4.050980 3.109023 0.000000 3.258226 4.653306 3.240967 4.501947 4.679331 5.152403 5.492215 4.339649 3.122049 3.096449 5.355537 5.040370 4.416902 2.029372 2.853672 3.040194 2.835088 0.000000 3.090765 3.409630 4.835278 3.599435 3.953929 2.913447 4.321152 5.540820 5.287391 5.168911 4.490776 3.172895 4.172939 2.027237 2.919766 3.040466 2.858274 4.055175 0.000000 3.232601 2.749392 4.283757 4.830076 2.377500 2.687145 3.815165 4.951331 5.076410 4.022038 5.436834 4.932779 5.541730 2.624058 1.022831 3.705056 4.583865 3.797970 2.813876 0.000000 4.093040 4.185008 4.816339 5.708240 3.791261 4.235033 5.258076 5.693742 5.372636 4.380051 6.474037 5.870266 6.181844 2.600222 1.024404 2.766195 4.548955 3.182427 3.423000 1.630144 0.000000 3.115188 3.204608 3.435476 4.957710 2.657997 3.647662 4.163804 4.228348 4.134049 2.866105 5.549269 5.376238 5.466130 2.610989 1.023681 3.836442 4.544593 2.811808 3.785353 1.611540 1.629865 0.000000 5.240220 6.209919 6.299312 5.855688 6.454958 6.030346 7.211770 7.317322 6.306315 6.384650 6.934253 5.679638 5.851562 2.905949 4.004172 1.023235 3.039234 3.645866 3.349535 4.592953 3.776362 4.797225 0.000000 5.225461 6.137247 5.914378 6.284731 6.124046 6.148277 7.183841 6.983797 5.958674 5.731817 7.302844 6.348632 6.319672 2.883772 3.353114 1.023181 3.689509 2.919789 3.982086 4.152210 2.884877 3.945452 1.614632 0.000000 5.165908 5.683995 6.283703 6.154626 5.721340 5.420245 6.760962 7.262568 6.544279 6.181602 7.150160 5.985176 6.410813 2.871572 3.088562 1.023280 3.921412 3.846360 3.083235 3.533535 2.602488 3.976481 1.613573 1.617207 0.000000 3.186138 4.970646 3.802708 3.055240 5.569538 5.264713 5.568875 4.652014 3.373312 4.429350 4.053620 3.381184 2.488515 2.607171 4.542427 3.877965 1.023129 2.779733 3.732989 5.143423 5.106486 4.837408 3.849931 4.277558 4.766410 0.000000 4.143039 5.647222 5.089883 4.145690 6.191367 5.678176 6.420279 6.016736 4.818362 5.541855 5.231060 4.096537 3.792949 2.602780 4.554389 2.840300 1.024092 3.177884 3.352589 5.155572 4.855315 5.119153 2.476068 3.349646 3.710951 1.628552 0.000000 3.278836 4.696784 4.568777 2.758862 5.464047 4.659785 5.311422 5.300443 4.448449 5.256451 3.830165 2.522353 2.532788 2.619182 4.580258 3.767045 1.023052 3.776356 2.737413 4.924493 5.152857 5.136619 3.594330 4.493646 4.435162 1.612450 1.629546 0.000000 3.019965 4.537800 2.483615 4.231018 4.579793 5.217446 5.221489 3.556787 2.202851 2.378337 4.948376 4.961527 4.075989 2.621394 3.373014 4.028757 3.195011 1.023229 4.588820 4.227839 3.878396 3.085534 4.594698 3.941830 4.822179 2.843508 3.708657 4.047343 0.000000 3.892165 4.999227 3.713436 5.354840 4.800715 5.509698 5.881456 4.778335 3.724661 3.261119 6.153154 5.891714 5.364046 2.616757 2.713184 3.192504 3.773459 1.023865 4.569259 3.721516 2.801622 2.503388 3.952398 2.827369 3.850068 3.795880 4.025592 4.709983 1.623266 0.000000 4.035037 5.559296 4.015448 4.981745 5.664035 5.997975 6.381273 5.099795 3.663455 3.969459 5.896606 5.463989 4.701100 2.601429 3.713513 3.032171 2.769938 1.023950 4.527687 4.667879 3.891578 3.778595 3.402468 2.771240 3.973033 2.626116 2.814991 3.786095 1.630955 1.620353 0.000000 2.952465 3.264707 4.813028 2.959579 4.047729 2.712560 3.981304 5.374470 5.250800 5.334936 3.784768 2.319273 3.611145 2.626663 3.683163 3.939093 2.954775 4.588643 1.023602 3.488938 4.325709 4.425133 4.121555 4.879104 4.066724 3.723805 3.584564 2.506128 4.954570 5.229676 5.050302 0.000000 4.031928 4.427935 5.725872 4.346760 4.944722 3.866899 5.325134 6.481714 6.073311 6.050884 5.289119 3.794839 4.779172 2.583797 3.572820 2.791897 3.025358 4.508099 1.024224 3.541814 3.839931 4.519294 2.843130 3.809404 2.732322 4.015709 3.217489 2.862803 5.170787 5.008614 4.795446 1.629144 0.000000 3.438149 3.189904 5.164430 4.175301 3.579478 2.493199 4.130647 5.790269 5.783339 5.372450 4.919364 3.759547 4.908343 2.626662 2.762446 3.503690 3.833391 4.592670 1.023060 2.324314 3.217355 3.647177 3.962215 4.392791 3.279036 4.666753 4.330101 3.741532 5.120368 4.936494 5.189255 1.616377 1.624790 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.stoich">
                     <scalar cmlx:templateRef="stoich"
                             dataType="xsd:string"
                             dictRef="g:stoichiometry">C3H24CoN5Si(2+)</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="2"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Si"
                                 id="a1"
                                 x3="1.620279"
                                 y3="-0.017877"
                                 z3="-0.013065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a2"
                                 x3="2.215132"
                                 y3="-0.209004"
                                 z3="1.774122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a3"
                                 x3="2.274308"
                                 y3="-1.453886"
                                 z3="-1.055487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a4"
                                 x3="2.25242"
                                 y3="1.623988"
                                 z3="-0.713188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a5"
                                 x3="2.044968"
                                 y3="-1.209901"
                                 z3="2.189317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a6"
                                 x3="1.804463"
                                 y3="0.532117"
                                 z3="2.47142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a7"
                                 x3="3.303789"
                                 y3="-0.060684"
                                 z3="1.780849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a8"
                                 x3="3.367504"
                                 y3="-1.477735"
                                 z3="-0.945574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a9"
                                 x3="2.083779"
                                 y3="-1.342582"
                                 z3="-2.131033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a10"
                                 x3="1.91462"
                                 y3="-2.43841"
                                 z3="-0.729818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a11"
                                 x3="3.345726"
                                 y3="1.633341"
                                 z3="-0.603727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a12"
                                 x3="1.891463"
                                 y3="2.517168"
                                 z3="-0.186305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="2.052276"
                                 y3="1.751273"
                                 z3="-1.783821">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Co"
                                 id="a14"
                                 x3="-0.776626"
                                 y3="0.00184"
                                 z3="-0.00811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a15"
                                 x3="-0.739351"
                                 y3="-1.408242"
                                 z3="1.447311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a16"
                                 x3="-3.082409"
                                 y3="0.056166"
                                 z3="0.141329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a17"
                                 x3="-0.793127"
                                 y3="1.361936"
                                 z3="-1.507966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a18"
                                 x3="-0.948474"
                                 y3="-1.466759"
                                 z3="-1.398087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a19"
                                 x3="-0.69834"
                                 y3="1.50944"
                                 z3="1.344925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-0.32578"
                                 y3="-1.099736"
                                 z3="2.330468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="-1.673341"
                                 y3="-1.753847"
                                 z3="1.687361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-0.196293"
                                 y3="-2.239621"
                                 z3="1.198675">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-3.538331"
                                 y3="0.855465"
                                 z3="-0.306182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="-3.546095"
                                 y3="-0.758706"
                                 z3="-0.2684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="-3.421877"
                                 y3="0.084055"
                                 z3="1.106257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="-0.273867"
                                 y3="1.061259"
                                 z3="-2.336673">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="-1.736342"
                                 y3="1.579717"
                                 z3="-1.842153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="-0.373685"
                                 y3="2.263278"
                                 z3="-1.266541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="-0.065172"
                                 y3="-1.731073"
                                 z3="-1.841836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.331202"
                                 y3="-2.342294"
                                 z3="-1.030314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-1.577195"
                                 y3="-1.212152"
                                 z3="-2.165132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.063135"
                                 y3="2.177901"
                                 z3="1.199747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="-1.556821"
                                 y3="2.067923"
                                 z3="1.33301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="-0.589986"
                                 y3="1.209474"
                                 z3="2.317001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a14" order="S"/>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a2 a7" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a8" order="S"/>
                           <bond atomRefs2="a3 a9" order="S"/>
                           <bond atomRefs2="a3 a10" order="S"/>
                           <bond atomRefs2="a4 a11" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a4 a13" order="S"/>
                           <bond atomRefs2="a14 a18" order="S"/>
                           <bond atomRefs2="a14 a19" order="S"/>
                           <bond atomRefs2="a14 a15" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a21" order="S"/>
                           <bond atomRefs2="a15 a22" order="S"/>
                           <bond atomRefs2="a15 a20" order="S"/>
                           <bond atomRefs2="a16 a25" order="S"/>
                           <bond atomRefs2="a16 a23" order="S"/>
                           <bond atomRefs2="a16 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a17 a26" order="S"/>
                           <bond atomRefs2="a17 a28" order="S"/>
                           <bond atomRefs2="a18 a31" order="S"/>
                           <bond atomRefs2="a18 a30" order="S"/>
                           <bond atomRefs2="a18 a29" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a19 a32" order="S"/>
                           <bond atomRefs2="a19 a34" order="S"/>
                        </bondArray>
                        <formula concise="C 3 H 24 Co 1 N 5 Si 1"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">193.08429999999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C3H9Si.Co.5H3N/c1-4(2)3;;;;;;/h1-3H3;;5*1H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:2,3,4,1;14;15;16;17;18;19/E:(1,2,3);;;;;;/CRV:4.3;;;;;;/rA:34SiCCCHHHHHHHHHCoN4NN4N4N4HHHHHHHHHHHHHHH/rB:s1;s1;s1;s2;s2;s2;s3;s3;s3;s4;s4;s4;s1;s14;;s14;s14;s14;s15;s15;s15;s16;s16;s16;s17;s17;s17;s18;s18;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">1.0702207 0.6301753 0.6281366</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= 270 270 271 271 271 MxSgAt= 34 MxSgA2= 34.</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l303.basis">
                  <list cmlx:templateRef="l303">
                     <scalar dataType="xsd:integer" dictRef="g:dipdrv">1</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l401"/>
               <module cmlx:templateRef="l502">
                  <scalar dataType="xsd:string" dictRef="g:l502.type">Closed</scalar>
                  <module cmlx:templateRef="l502.cycle">
                     <list cmlx:templateRef="cycle">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="cc:cycle">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:pass">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:idiag">1</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="l502.e">
                        <list cmlx:templateRef="l502.e">
                           <scalar dataType="xsd:double" dictRef="g:l502.e">-837.344517884698</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-837.502602467235</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.158084582537</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-837.334554090063</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.168048377172</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-836.862535175564</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.472018914499</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-837.756914772392</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.894379596828</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-837.793674330713</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.036759558321</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-837.794043205092</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000368874379</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-837.794274111447</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000230906355</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-837.794276866534</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000002755087</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-837.794277136693</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000270159</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-837.794277171777</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000035084</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-837.794277175967</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000004190</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-837.794277177170</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001203</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-837.794277177572</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000402</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-837.794277177689</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000117</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-837.794277177686</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000003</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-837.794277177700</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000013</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">-837.794277178</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">17</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">7.765254663426e+02</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-3.890127327051e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">1.300533199039e+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=      244200 IEndB=      244200 NGot=   419430400 MDV=   419277097</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=   419277097 LenY=   419202672</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on MAX density matrix=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on             energy=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">No special actions if energy rises.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Fock matrices will be formed incrementally for  20 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502"/>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT1230.800S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:string">Thu Apr  6 16:58:24 2017</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="53">-66.12894 -14.39300 -14.39176 -14.39080 -14.38837 -14.36163 -10.17044 -10.17004 -10.16944 -5.28200 -3.91456 -3.64115 -3.63983 -3.63980 -2.43603 -2.43515 -2.41199 -0.93593 -0.92561 -0.92493 -0.91862 -0.89851 -0.72661 -0.69325 -0.69252 -0.54911 -0.53694 -0.53408 -0.53264 -0.52636 -0.52593 -0.52088 -0.50248 -0.49553 -0.49443 -0.48136 -0.44755 -0.42224 -0.42028 -0.41861 -0.39930 -0.39873 -0.39749 -0.39590 -0.38110 -0.37984 -0.35383 -0.32129 -0.32057 -0.30157 -0.28198 -0.28126 -0.24153</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="204">-0.06242 -0.05815 -0.03482 -0.00704 -0.00666 -0.00340 0.02493 0.02672 0.02826 0.03033 0.04423 0.04619 0.05394 0.06502 0.06654 0.07177 0.07645 0.08042 0.08395 0.08901 0.09217 0.09840 0.10359 0.11010 0.11391 0.11883 0.11944 0.12248 0.12547 0.13204 0.13250 0.13939 0.14145 0.14725 0.15166 0.15537 0.15792 0.16351 0.16762 0.17237 0.17677 0.18189 0.18582 0.19055 0.19581 0.19911 0.20369 0.20658 0.21945 0.22492 0.22924 0.23039 0.23435 0.24256 0.25393 0.25804 0.26674 0.26701 0.27384 0.27677 0.28756 0.29627 0.30131 0.31197 0.32683 0.34297 0.34878 0.35832 0.36320 0.37420 0.37977 0.40967 0.42121 0.43214 0.44400 0.44851 0.45784 0.47698 0.48299 0.49550 0.51855 0.54035 0.63579 0.66987 0.67649 0.70489 0.73506 0.75888 0.77938 0.78280 0.80192 0.81622 0.83448 0.83835 0.85615 0.86115 0.88593 0.88786 0.89399 0.90081 0.91539 0.93256 0.94435 0.95538 0.96525 0.97204 0.97381 0.98743 0.99241 0.99474 0.99977 1.00590 1.01363 1.01582 1.02700 1.03402 1.03530 1.04225 1.04936 1.05629 1.06213 1.06725 1.06927 1.07979 1.08952 1.09710 1.11834 1.13293 1.14666 1.16606 1.17434 1.19094 1.20179 1.20462 1.21766 1.22005 1.23616 1.23887 1.26147 1.32690 1.36014 1.38244 1.46042 1.49420 1.51758 1.55188 1.57538 1.61503 1.63228 1.64871 1.65779 1.67261 1.70344 1.72252 1.77286 1.79163 1.80977 1.82317 1.82666 1.84461 1.86184 1.88432 1.92978 1.96504 1.98176 2.03002 2.04885 2.06009 2.13424 2.26016 2.27328 2.28484 2.29464 2.30545 2.30855 2.31466 2.31903 2.34621 2.39283 2.40997 2.41807 2.43196 2.44886 2.46333 2.47030 2.48109 2.48979 2.51473 2.61803 2.77452 2.78085 2.90770 3.76058 5.51588 5.51757 5.51817 5.52416 5.54368 5.57158 5.57300 45.89953 45.90396 45.94466 63.07615</array>
                     <module cmlx:templateRef="l601.state">
                        <scalar dataType="xsd:string" dictRef="g:l601.state">1-A.</scalar>
                     </module>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="34">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="34">Si C C C H H H H H H H H H Co N N N N N H H H H H H H H H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="34">1.639965 -1.075363 -1.071351 -1.032333 0.237500 0.239125 0.242287 0.244165 0.236465 0.241668 0.243731 0.224406 0.239099 0.223762 -1.194592 -1.291303 -1.186625 -1.175600 -1.176652 0.485772 0.482717 0.495493 0.458019 0.461594 0.460978 0.494450 0.479967 0.483940 0.476702 0.480887 0.481181 0.477168 0.486046 0.486733</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">2.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-10.6431 0.0216 -0.0307</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">10.6432</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-43.3463 -48.3541 -48.7533</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">0.3806 0.3352 -0.1216</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">3.4716 -1.5362 -1.9354 0.3806 0.3352 -0.1216</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-133.8691 -1.5154 -3.6571 -47.4826 0.2897 -0.7013 -46.7184 1.2241 3.0650 0.3314</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-1220.1663 -588.4436 -579.7231 -2.5996 0.9346 3.6769 1.1214 -4.4778 -2.3965 -332.3292 -335.7997 -180.8157 -1.0247 9.0910 2.0489</array>
                  </list>
               </property>
               <property dictRef="cc:virtualorbs">
                  <array dataType="xsd:string" delimiter="|" size="204">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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="53">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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">
                  <list cmlx:templateRef="ginc">
                     <list dictRef="g:archive">
                        <list dictRef="g:archive1">
                           <scalar dataType="xsd:string" dictRef="cc:hostname">GINC-KIMIK2001</scalar>
                           <formula concise="C 3.0 H 24.0 Co 1.0 N 5.0 Si 1.0" formalCharge="0">
                              <atomArray count="3.0 24.0 1.0 5.0 1.0" elementType="C H Co N Si"/>
                           </formula>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">MBESORA</scalar>
                           <scalar dataType="xsd:date">2017-04-06T00:00:00.000+02:00</scalar>
                           <scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
                        </list>
                        <scalar dataType="xsd:string" dictRef="cc:title">Bitartekari zentralaren dobletea base handiagoa erabiliz:</scalar>
                        <list dictRef="cc:molecule">
                           <list type="chargemult">
                              <scalar dataType="xsd:string" dictRef="x:formalCharge">2</scalar>
                              <scalar dataType="xsd:string" dictRef="x:spinMultiplicity">1</scalar>
                           </list>
                        </list>
                        <list dictRef="g:archive.namevalue">
                           <scalar dataType="xsd:string">Version=EM64L-G09RevD.01</scalar>
                           <scalar dataType="xsd:string">State=1-A</scalar>
                           <scalar dataType="xsd:string">HF=-837.7942772</scalar>
                           <scalar dataType="xsd:string">RMSD=5.719e-09</scalar>
                           <scalar dataType="xsd:string">Dipole=-4.1873267,-0.0085131,0.0120952</scalar>
                           <scalar dataType="xsd:string">Quadrupole=2.5810535,-1.1421405,-1.438913,-0.2829906,-0.2491954,-0.0904216</scalar>
                           <scalar dataType="xsd:string">PG=C01 [X(C3H24Co1N5Si1)]</scalar>
                        </list>
                        <array dataType="xsd:double" dictRef="g:forces" size="1">@</array>
                     </list>
                  </list>
                  <list id="molRoot0">
                     <module id="moleculeRoot">
                        <list type="molecule">
                           <atom elementType="Si" id="a1"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.620279</scalar>
                           <scalar dataType="xsd:string">0.017877</scalar>
                           <scalar dataType="xsd:string">0.013065</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a2"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.215132</scalar>
                           <scalar dataType="xsd:string">0.209004</scalar>
                           <scalar dataType="xsd:string">-1.774122</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a3"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.274308</scalar>
                           <scalar dataType="xsd:string">1.453886</scalar>
                           <scalar dataType="xsd:string">1.055487</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a4"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.25242</scalar>
                           <scalar dataType="xsd:string">-1.623988</scalar>
                           <scalar dataType="xsd:string">0.713188</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a5"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.044968</scalar>
                           <scalar dataType="xsd:string">1.209901</scalar>
                           <scalar dataType="xsd:string">-2.189317</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a6"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.804463</scalar>
                           <scalar dataType="xsd:string">-0.532117</scalar>
                           <scalar dataType="xsd:string">-2.47142</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a7"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">3.303789</scalar>
                           <scalar dataType="xsd:string">0.060684</scalar>
                           <scalar dataType="xsd:string">-1.780849</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a8"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">3.367504</scalar>
                           <scalar dataType="xsd:string">1.477735</scalar>
                           <scalar dataType="xsd:string">0.945574</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a9"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.083779</scalar>
                           <scalar dataType="xsd:string">1.342582</scalar>
                           <scalar dataType="xsd:string">2.131033</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a10"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.91462</scalar>
                           <scalar dataType="xsd:string">2.43841</scalar>
                           <scalar dataType="xsd:string">0.729818</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a11"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">3.345726</scalar>
                           <scalar dataType="xsd:string">-1.633341</scalar>
                           <scalar dataType="xsd:string">0.603727</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a12"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.891463</scalar>
                           <scalar dataType="xsd:string">-2.517168</scalar>
                           <scalar dataType="xsd:string">0.186305</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a13"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.052276</scalar>
                           <scalar dataType="xsd:string">-1.751273</scalar>
                           <scalar dataType="xsd:string">1.783821</scalar>
                        </list>
                        <list type="molecule">
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