<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:a="http://www.iochem-bd.org/dictionary/adf/"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="adf.log">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">ADF</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:integer">2019</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2019-11-09</scalar>
               </parameter>
               <parameter dictRef="cc:programFlavour">
                  <scalar dataType="xsd:string">x86_64_linux_intel / intelmpi</scalar>
               </parameter>
               <parameter dictRef="cc:runDate">
                  <scalar dataType="xsd:string">Sep09-2020 01:50:01</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Hydrogen (TZP)</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:runtype">
                  <scalar dataType="xsd:string">GEOMETRY OPTIMIZATION</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.0">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.1">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.2">TZP</scalar>
               </parameter>
            </parameterList>
            <molecule id="coordinates">
               <atomArray>
                  <atom elementType="O"
                        id="a1"
                        x3="0.0237"
                        y3="0.0416"
                        z3="-0.0000"/>
                  <atom elementType="V"
                        id="a2"
                        x3="-0.8961"
                        y3="-1.4347"
                        z3="1.6304"/>
                  <atom elementType="O"
                        id="a3"
                        x3="-1.6021"
                        y3="-2.3777"
                        z3="2.8034"/>
                  <atom elementType="V"
                        id="a4"
                        x3="-1.9623"
                        y3="1.2373"
                        z3="-0.0000"/>
                  <atom elementType="O"
                        id="a5"
                        x3="-3.2773"
                        y3="2.2613"
                        z3="0.0000"/>
                  <atom elementType="V" id="a6" x3="0.8152" y3="1.3437" z3="1.7611"/>
                  <atom elementType="O" id="a7" x3="1.5693" y3="2.3082" z3="2.8906"/>
                  <atom elementType="V"
                        id="a8"
                        x3="1.9934"
                        y3="-1.1764"
                        z3="0.0000"/>
                  <atom elementType="O"
                        id="a9"
                        x3="3.3087"
                        y3="-2.2006"
                        z3="0.0001"/>
                  <atom elementType="V"
                        id="a10"
                        x3="-0.8961"
                        y3="-1.4347"
                        z3="-1.6304"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-1.6022"
                        y3="-2.3778"
                        z3="-2.8034"/>
                  <atom elementType="V"
                        id="a12"
                        x3="0.8152"
                        y3="1.3437"
                        z3="-1.7611"/>
                  <atom elementType="O"
                        id="a13"
                        x3="1.5693"
                        y3="2.3083"
                        z3="-2.8904"/>
                  <atom elementType="O"
                        id="a14"
                        x3="-2.2549"
                        y3="0.0425"
                        z3="-1.3526"/>
                  <atom elementType="O"
                        id="a15"
                        x3="-0.7049"
                        y3="2.2095"
                        z3="1.3048"/>
                  <atom elementType="O"
                        id="a16"
                        x3="-0.7050"
                        y3="2.2095"
                        z3="-1.3047"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-2.2548"
                        y3="0.0425"
                        z3="1.3526"/>
                  <atom elementType="O"
                        id="a18"
                        x3="2.2868"
                        y3="0.0096"
                        z3="1.3554"/>
                  <atom elementType="O"
                        id="a19"
                        x3="1.6263"
                        y3="2.2030"
                        z3="0.0000"/>
                  <atom elementType="O"
                        id="a20"
                        x3="-0.0080"
                        y3="-0.0103"
                        z3="2.6923"/>
                  <atom elementType="O"
                        id="a21"
                        x3="0.7358"
                        y3="-2.1547"
                        z3="-1.3073"/>
                  <atom elementType="O"
                        id="a22"
                        x3="2.2868"
                        y3="0.0096"
                        z3="-1.3554"/>
                  <atom elementType="O"
                        id="a23"
                        x3="0.7358"
                        y3="-2.1547"
                        z3="1.3073"/>
                  <atom elementType="O"
                        id="a24"
                        x3="-0.0080"
                        y3="-0.0103"
                        z3="-2.6923"/>
                  <atom elementType="O"
                        id="a25"
                        x3="-1.6008"
                        y3="-2.1176"
                        z3="-0.0000"/>
                  <atom elementType="H"
                        id="a26"
                        x3="2.5926"
                        y3="2.2502"
                        z3="-0.0002"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a20" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a25" order="S"/>
                  <bond atomRefs2="a2 a17" order="S"/>
                  <bond atomRefs2="a2 a23" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a14" order="S"/>
                  <bond atomRefs2="a6 a19" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a6 a20" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a22" order="S"/>
                  <bond atomRefs2="a8 a21" order="S"/>
                  <bond atomRefs2="a8 a18" order="S"/>
                  <bond atomRefs2="a8 a23" order="S"/>
                  <bond atomRefs2="a10 a24" order="S"/>
                  <bond atomRefs2="a10 a25" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a21" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a19" order="S"/>
                  <bond atomRefs2="a12 a22" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a19 a26" order="S"/>
               </bondArray>
               <formula concise="HO19V6"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">609.6376000000001</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/HO.18O.6V/h1H;;;;;;;;;;;;;;;;;;;;;;;;/rHO18V6.O/c1-19-7-20(2)11-21(3,8-19)13-23(5,10-19)14-22(4,9-19,12-20)17-24(6,15-20,16-21)18-23;/h7H;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:19;1;3;5;7;9;11;13;14;15;16;17;18;20;21;22;23;24;25;2;4;6;8;10;12/CRV:1.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:26nO0VO1VO1VO1VO1VO1VO1OOOOOO3OOOOOOH/rB:;s2;;s4;;s6;;s8;;s10;;s12;s4s10;s4s6;s4s12;s2s4;s6s8;s6s12;s2s6;s8s10;s8s12;s2s8;s10s12;s2s10;s19;/rC:.0237,.0416,0;-.8961,-1.4347,1.6304;-1.6021,-2.3777,2.8034;-1.9623,1.2373,0;-3.2773,2.2613,0;.8152,1.3437,1.7611;1.5693,2.3082,2.8906;1.9934,-1.1764,0;3.3087,-2.2006,.0001;-.8961,-1.4347,-1.6304;-1.6022,-2.3778,-2.8034;.8152,1.3437,-1.7611;1.5693,2.3083,-2.8904;-2.2549,.0425,-1.3526;-.7049,2.2095,1.3048;-.705,2.2095,-1.3047;-2.2548,.0425,1.3526;2.2868,.0096,1.3554;1.6263,2.203,0;-.008,-.0103,2.6923;.7358,-2.1547,-1.3073;2.2868,.0096,-1.3554;.7358,-2.1547,1.3073;-.008,-.0103,-2.6923;-1.6008,-2.1176,0;2.5926,2.2502,-.0002;/R:/0/N:7,13,5,9,3,11,19,15,18,20,16,22,17,23,24,14,21,25,6,12,4,8,2,10;1/E:(1,2)(3,4)(5,6)(8,9,11,12)(10,15)(13,14,16,17)(19,20)(21,22)(23,24);/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.3;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="2482" startLine="2480">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="2486" startLine="2484">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="2495" startLine="2488">
                     <scalar dataType="xsd:string" dictRef="a:densityMode">Point Charge Nuclei</scalar>
                     <scalar dataType="xsd:string" dictRef="a:coretreat">Frozen Orbital(s)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="solvation" dictRef="cc:userDefinedModule">
                  <list id="cosmo">
                     <scalar dataType="xsd:integer" dictRef="a:ndiv">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:nfdiv">1</scalar>
                     <scalar dataType="xsd:double" dictRef="a:rsol" units="nonsi:angstrom">1.93000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:epsl">78.39000</scalar>
                     <scalar dataType="xsd:string" dictRef="a:cosmomethod">conjugate-gradient</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ncix">1000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ccnv">1.0E-08</scalar>
                     <scalar dataType="xsd:double" dictRef="a:gdsf">0.00000</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="fragment.files" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="O" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.O</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Sep09-2020 01:49:59</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Oxygen</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">1s</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="V" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.V</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Sep09-2020 01:49:58</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Vanadium</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">2p</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="H" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.H</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Sep09-2020 01:49:57</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Hydrogen</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                        </atom>
                     </list>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">1</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">1</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-8.31470664</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.08232918</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03084980</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.08232918</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03084980</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05276992</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00906605</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="0.022982"
                                 y3="0.049478"
                                 z3="-0.000006"/>
                           <atom elementType="V"
                                 id="a2"
                                 x3="-0.882093"
                                 y3="-1.426778"
                                 z3="1.620329"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-1.596315"
                                 y3="-2.373119"
                                 z3="2.803159"/>
                           <atom elementType="V"
                                 id="a4"
                                 x3="-1.95527"
                                 y3="1.228708"
                                 z3="-0.000007"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.280572"
                                 y3="2.260755"
                                 z3="-0.00003"/>
                           <atom elementType="V"
                                 id="a6"
                                 x3="0.807716"
                                 y3="1.341372"
                                 z3="1.751433"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="1.57221"
                                 y3="2.310156"
                                 z3="2.888112"/>
                           <atom elementType="V"
                                 id="a8"
                                 x3="1.971373"
                                 y3="-1.168155"
                                 z3="0.00006"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="3.293468"
                                 y3="-2.204973"
                                 z3="0.000058"/>
                           <atom elementType="V"
                                 id="a10"
                                 x3="-0.882067"
                                 y3="-1.426748"
                                 z3="-1.620359"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-1.596318"
                                 y3="-2.373209"
                                 z3="-2.803076"/>
                           <atom elementType="V"
                                 id="a12"
                                 x3="0.80765"
                                 y3="1.341332"
                                 z3="-1.751403"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.572217"
                                 y3="2.310113"
                                 z3="-2.888036"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-2.253887"
                                 y3="0.039173"
                                 z3="-1.345675"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-0.705619"
                                 y3="2.206491"
                                 z3="1.310104"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.705643"
                                 y3="2.206465"
                                 z3="-1.310048"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.254091"
                                 y3="0.039125"
                                 z3="1.345694"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.283347"
                                 y3="0.011671"
                                 z3="1.348029"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="1.616964"
                                 y3="2.223996"
                                 z3="0.000008"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-0.006165"
                                 y3="-0.001847"
                                 z3="2.689847"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.73471"
                                 y3="-2.153559"
                                 z3="-1.313022"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="2.283146"
                                 y3="0.011633"
                                 z3="-1.347938"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.734634"
                                 y3="-2.153974"
                                 z3="1.312894"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-0.006198"
                                 y3="-0.001833"
                                 z3="-2.689902"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.582763"
                                 y3="-2.122956"
                                 z3="-0.000038"/>
                           <atom elementType="H"
                                 id="a26"
                                 x3="2.592966"
                                 y3="2.197451"
                                 z3="-0.000186"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a2 a20" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a25" order="S"/>
                           <bond atomRefs2="a2 a17" order="S"/>
                           <bond atomRefs2="a2 a23" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a4 a17" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a6 a19" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a18" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a23" order="S"/>
                           <bond atomRefs2="a8 a22" order="S"/>
                           <bond atomRefs2="a8 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a25" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a14" order="S"/>
                           <bond atomRefs2="a10 a21" order="S"/>
                           <bond atomRefs2="a12 a19" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a22" order="S"/>
                           <bond atomRefs2="a12 a24" order="S"/>
                           <bond atomRefs2="a12 a16" order="S"/>
                           <bond atomRefs2="a19 a26" order="S"/>
                        </bondArray>
                        <formula concise="HO19V6"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">609.6376000000001</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/HO.18O.6V/h1H;;;;;;;;;;;;;;;;;;;;;;;;/rHO18V6.O/c1-19-7-20(2)11-21(3,8-19)13-23(5,10-19)14-22(4,9-19,12-20)17-24(6,15-20,16-21)18-23;/h7H;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:19;1;3;5;7;9;11;13;14;15;16;17;18;20;21;22;23;24;25;2;4;6;8;10;12/CRV:1.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:26nO0VO1VO1VO1VO1VO1VO1OOOOOO3OOOOOOH/rB:;s2;;s4;;s6;;s8;;s10;;s12;s4s10;s4s6;s4s12;s2s4;s6s8;s6s12;s2s6;s8s10;s8s12;s2s8;s10s12;s2s10;s19;/rC:.023,.0495,0;-.8821,-1.4268,1.6203;-1.5963,-2.3731,2.8032;-1.9553,1.2287,0;-3.2806,2.2608,0;.8077,1.3414,1.7514;1.5722,2.3102,2.8881;1.9714,-1.1682,.0001;3.2935,-2.205,.0001;-.8821,-1.4267,-1.6204;-1.5963,-2.3732,-2.8031;.8076,1.3413,-1.7514;1.5722,2.3101,-2.888;-2.2539,.0392,-1.3457;-.7056,2.2065,1.3101;-.7056,2.2065,-1.31;-2.2541,.0391,1.3457;2.2833,.0117,1.348;1.617,2.224,0;-.0062,-.0018,2.6898;.7347,-2.1536,-1.313;2.2831,.0116,-1.3479;.7346,-2.154,1.3129;-.0062,-.0018,-2.6899;-1.5828,-2.123,0;2.593,2.1975,-.0002;/R:/0/N:7,13,5,9,3,11,19,15,18,20,16,22,17,23,24,14,21,25,6,12,4,8,2,10;1/E:(1,2)(3,4)(5,6)(8,9,11,12)(10,15)(13,14,16,17)(19,20)(21,22)(23,24);/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.3;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">2</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">2</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-8.32470392</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05715622</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02199659</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05715622</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02199659</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.17060019</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02505093</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="0.024174"
                                 y3="0.064537"
                                 z3="-0.000008"/>
                           <atom elementType="V"
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                                 x3="-0.851782"
                                 y3="-1.4077"
                                 z3="1.596671"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-1.579756"
                                 y3="-2.350025"
                                 z3="2.79065"/>
                           <atom elementType="V"
                                 id="a4"
                                 x3="-1.937285"
                                 y3="1.208196"
                                 z3="0.000082"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.270131"
                                 y3="2.252197"
                                 z3="0.000108"/>
                           <atom elementType="V"
                                 id="a6"
                                 x3="0.79017"
                                 y3="1.334997"
                                 z3="1.730065"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="1.57105"
                                 y3="2.304945"
                                 z3="2.873385"/>
                           <atom elementType="V"
                                 id="a8"
                                 x3="1.931589"
                                 y3="-1.141584"
                                 z3="-0.000046"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="3.255956"
                                 y3="-2.197165"
                                 z3="-0.000031"/>
                           <atom elementType="V"
                                 id="a10"
                                 x3="-0.851814"
                                 y3="-1.407715"
                                 z3="-1.596715"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-1.579878"
                                 y3="-2.349705"
                                 z3="-2.790945"/>
                           <atom elementType="V"
                                 id="a12"
                                 x3="0.790245"
                                 y3="1.334788"
                                 z3="-1.73005"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.570995"
                                 y3="2.305258"
                                 z3="-2.873044"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-2.251663"
                                 y3="0.033983"
                                 z3="-1.331646"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-0.705496"
                                 y3="2.202422"
                                 z3="1.317066"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.705874"
                                 y3="2.200923"
                                 z3="-1.317448"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.251354"
                                 y3="0.034095"
                                 z3="1.331849"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.28018"
                                 y3="0.023389"
                                 z3="1.333134"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="1.601969"
                                 y3="2.265403"
                                 z3="0.00007"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-0.003195"
                                 y3="0.014306"
                                 z3="2.683803"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.738186"
                                 y3="-2.145233"
                                 z3="-1.322181"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="2.280627"
                                 y3="0.023513"
                                 z3="-1.333141"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.73829"
                                 y3="-2.144621"
                                 z3="1.322183"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-0.003073"
                                 y3="0.014242"
                                 z3="-2.683901"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.54756"
                                 y3="-2.129531"
                                 z3="-0.000009"/>
                           <atom elementType="H"
                                 id="a26"
                                 x3="2.551813"
                                 y3="2.026851"
                                 z3="0.0001"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a2 a20" order="S"/>
                           <bond atomRefs2="a2 a25" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a17" order="S"/>
                           <bond atomRefs2="a2 a23" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a4 a17" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a19" order="S"/>
                           <bond atomRefs2="a6 a18" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a8 a22" order="S"/>
                           <bond atomRefs2="a8 a21" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a23" order="S"/>
                           <bond atomRefs2="a10 a25" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a14" order="S"/>
                           <bond atomRefs2="a10 a21" order="S"/>
                           <bond atomRefs2="a12 a19" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a22" order="S"/>
                           <bond atomRefs2="a12 a16" order="S"/>
                           <bond atomRefs2="a12 a24" order="S"/>
                           <bond atomRefs2="a19 a26" order="S"/>
                        </bondArray>
                        <formula concise="HO19V6"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">609.6376000000001</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/HO.18O.6V/h1H;;;;;;;;;;;;;;;;;;;;;;;;/rHO18V6.O/c1-19-7-20(2)11-21(3,8-19)13-23(5,10-19)14-22(4,9-19,12-20)17-24(6,15-20,16-21)18-23;/h7H;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:19;1;3;5;7;9;11;13;14;15;16;17;18;20;21;22;23;24;25;2;4;6;8;10;12/CRV:1.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:26nO0VO1VO1VO1VO1VO1VO1OOOOOO3OOOOOOH/rB:;s2;;s4;;s6;;s8;;s10;;s12;s4s10;s4s6;s4s12;s2s4;s6s8;s6s12;s2s6;s8s10;s8s12;s2s8;s10s12;s2s10;s19;/rC:.0242,.0645,0;-.8518,-1.4077,1.5967;-1.5798,-2.35,2.7906;-1.9373,1.2082,.0001;-3.2701,2.2522,.0001;.7902,1.335,1.7301;1.5711,2.3049,2.8734;1.9316,-1.1416,0;3.256,-2.1972,0;-.8518,-1.4077,-1.5967;-1.5799,-2.3497,-2.7909;.7902,1.3348,-1.7301;1.571,2.3053,-2.873;-2.2517,.034,-1.3316;-.7055,2.2024,1.3171;-.7059,2.2009,-1.3174;-2.2514,.0341,1.3318;2.2802,.0234,1.3331;1.602,2.2654,.0001;-.0032,.0143,2.6838;.7382,-2.1452,-1.3222;2.2806,.0235,-1.3331;.7383,-2.1446,1.3222;-.0031,.0142,-2.6839;-1.5476,-2.1295,0;2.5518,2.0269,.0001;/R:/0/N:7,13,5,9,3,11,19,15,18,20,16,22,17,23,24,14,21,25,6,12,4,8,2,10;1/E:(1,2)(3,4)(5,6)(8,9,11,12)(10,15)(13,14,16,17)(19,20)(21,22)(23,24);/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.3;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">3</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">3</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-8.33891672</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02984418</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01000501</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02984418</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01000501</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.26677658</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03763881</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="0.030559"
                                 y3="0.077185"
                                 z3="0.000037"/>
                           <atom elementType="V"
                                 id="a2"
                                 x3="-0.819836"
                                 y3="-1.383568"
                                 z3="1.568413"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-1.561962"
                                 y3="-2.312498"
                                 z3="2.767832"/>
                           <atom elementType="V"
                                 id="a4"
                                 x3="-1.913451"
                                 y3="1.183688"
                                 z3="0.000196"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.241606"
                                 y3="2.241098"
                                 z3="0.000205"/>
                           <atom elementType="V"
                                 id="a6"
                                 x3="0.768989"
                                 y3="1.325978"
                                 z3="1.707877"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="1.562573"
                                 y3="2.291713"
                                 z3="2.85369"/>
                           <atom elementType="V"
                                 id="a8"
                                 x3="1.902669"
                                 y3="-1.098842"
                                 z3="0.000087"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="3.22121"
                                 y3="-2.168408"
                                 z3="-0.000055"/>
                           <atom elementType="V"
                                 id="a10"
                                 x3="-0.81988"
                                 y3="-1.38348"
                                 z3="-1.568507"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-1.562008"
                                 y3="-2.311972"
                                 z3="-2.76823"/>
                           <atom elementType="V"
                                 id="a12"
                                 x3="0.769139"
                                 y3="1.325522"
                                 z3="-1.707875"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.562442"
                                 y3="2.291922"
                                 z3="-2.853393"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-2.249602"
                                 y3="0.032516"
                                 z3="-1.320874"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-0.705721"
                                 y3="2.202863"
                                 z3="1.319826"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.70633"
                                 y3="2.200175"
                                 z3="-1.320446"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.249373"
                                 y3="0.032751"
                                 z3="1.321462"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.287726"
                                 y3="0.050342"
                                 z3="1.321827"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="1.603646"
                                 y3="2.29194"
                                 z3="0.00005"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-0.002022"
                                 y3="0.027272"
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                                 id="a21"
                                 x3="0.753862"
                                 y3="-2.126645"
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                                 id="a22"
                                 x3="2.287983"
                                 y3="0.050343"
                                 z3="-1.3216"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.753769"
                                 y3="-2.12722"
                                 z3="1.328314"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-0.001712"
                                 y3="0.026959"
                                 z3="-2.679098"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.516618"
                                 y3="-2.12894"
                                 z3="-0.000084"/>
                           <atom elementType="H"
                                 id="a26"
                                 x3="2.431936"
                                 y3="1.760074"
                                 z3="0.000155"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a8" order="S"/>
                           <bond atomRefs2="a2 a20" order="S"/>
                           <bond atomRefs2="a2 a25" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a17" order="S"/>
                           <bond atomRefs2="a2 a23" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a4 a17" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a19" order="S"/>
                           <bond atomRefs2="a6 a18" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a23" order="S"/>
                           <bond atomRefs2="a8 a22" order="S"/>
                           <bond atomRefs2="a8 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a10 a25" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a14" order="S"/>
                           <bond atomRefs2="a10 a21" order="S"/>
                           <bond atomRefs2="a12 a19" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a22" order="S"/>
                           <bond atomRefs2="a12 a16" order="S"/>
                           <bond atomRefs2="a12 a24" order="S"/>
                           <bond atomRefs2="a19 a26" order="S"/>
                        </bondArray>
                        <formula concise="HO19V6"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">609.6376000000001</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/HO.18O.6V/h1H;;;;;;;;;;;;;;;;;;;;;;;;/rHO19V6/c1-20-8-21(2)12-22(3,9-20)14-24(5,11-20)15-23(4,10-20,13-21)18-25(6,7,16-21,17-22)19-24/h12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:19;1;3;5;7;9;11;13;14;15;16;17;18;20;21;22;23;24;25;2;4;6;8;10;12/CRV:1.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:26nO1VO1VO1VO1VO1VO1VO1OOOOOO3OOOOOOH/rB:;s2;;s4;;s6;s1;s8;;s10;;s12;s4s10;s4s6;s4s12;s2s4;s6s8;s6s12;s2s6;s8s10;s8s12;s2s8;s10s12;s2s10;s19;/rC:.0306,.0772,0;-.8198,-1.3836,1.5684;-1.562,-2.3125,2.7678;-1.9135,1.1837,.0002;-3.2416,2.2411,.0002;.769,1.326,1.7079;1.5626,2.2917,2.8537;1.9027,-1.0988,.0001;3.2212,-2.1684,-.0001;-.8199,-1.3835,-1.5685;-1.562,-2.312,-2.7682;.7691,1.3255,-1.7079;1.5624,2.2919,-2.8534;-2.2496,.0325,-1.3209;-.7057,2.2029,1.3198;-.7063,2.2002,-1.3204;-2.2494,.0328,1.3215;2.2877,.0503,1.3218;1.6036,2.2919,.0001;-.002,.0273,2.6789;.7539,-2.1266,-1.3287;2.288,.0503,-1.3216;.7538,-2.1272,1.3283;-.0017,.027,-2.6791;-1.5166,-2.1289,-.0001;2.4319,1.7601,.0002;/R:/0/N:5,7,13,3,11,1,9,15,16,17,14,19,20,24,25,18,22,23,21,4,6,12,2,10,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)(18,19)(21,22)(23,24)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,12.3,25.6</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">4</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">4</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-8.34494626</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02498424</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00788201</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02498424</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00788201</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02825562</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
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                        <scalar dataType="xsd:double" dictRef="cc:current">0.00750809</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
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                                 y3="0.073261"
                                 z3="0.000058"/>
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                                 z3="2.7616"/>
                           <atom elementType="V"
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                                 z3="0.000187"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.234919"
                                 y3="2.239354"
                                 z3="0.0002"/>
                           <atom elementType="V"
                                 id="a6"
                                 x3="0.763167"
                                 y3="1.324478"
                                 z3="1.711278"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="1.551071"
                                 y3="2.288687"
                                 z3="2.85415"/>
                           <atom elementType="V"
                                 id="a8"
                                 x3="1.913271"
                                 y3="-1.088751"
                                 z3="0.00014"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="3.227658"
                                 y3="-2.152452"
                                 z3="0.000016"/>
                           <atom elementType="V"
                                 id="a10"
                                 x3="-0.824522"
                                 y3="-1.382712"
                                 z3="-1.567767"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-1.564101"
                                 y3="-2.3092"
                                 z3="-2.761945"/>
                           <atom elementType="V"
                                 id="a12"
                                 x3="0.763302"
                                 y3="1.324007"
                                 z3="-1.7113"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.550962"
                                 y3="2.288809"
                                 z3="-2.853927"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-2.254065"
                                 y3="0.034342"
                                 z3="-1.326442"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-0.711378"
                                 y3="2.207498"
                                 z3="1.316911"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.711926"
                                 y3="2.205132"
                                 z3="-1.317341"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.254022"
                                 y3="0.034498"
                                 z3="1.326964"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.293835"
                                 y3="0.062059"
                                 z3="1.327794"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="1.623387"
                                 y3="2.266732"
                                 z3="0.000039"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-0.007149"
                                 y3="0.021389"
                                 z3="2.682791"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.760891"
                                 y3="-2.121998"
                                 z3="-1.325395"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="2.293739"
                                 y3="0.061872"
                                 z3="-1.327649"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.760786"
                                 y3="-2.122991"
                                 z3="1.325113"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-0.006873"
                                 y3="0.021073"
                                 z3="-2.683127"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.526552"
                                 y3="-2.12512"
                                 z3="-0.000117"/>
                           <atom elementType="H"
                                 id="a26"
                                 x3="2.451615"
                                 y3="1.731819"
                                 z3="0.000142"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a8" order="S"/>
                           <bond atomRefs2="a2 a20" order="S"/>
                           <bond atomRefs2="a2 a25" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a17" order="S"/>
                           <bond atomRefs2="a2 a23" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a4 a17" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a19" order="S"/>
                           <bond atomRefs2="a6 a18" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a23" order="S"/>
                           <bond atomRefs2="a8 a22" order="S"/>
                           <bond atomRefs2="a8 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a10 a25" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a14" order="S"/>
                           <bond atomRefs2="a10 a21" order="S"/>
                           <bond atomRefs2="a12 a19" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a22" order="S"/>
                           <bond atomRefs2="a12 a16" order="S"/>
                           <bond atomRefs2="a12 a24" order="S"/>
                           <bond atomRefs2="a19 a26" order="S"/>
                        </bondArray>
                        <formula concise="HO19V6"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">609.6376000000001</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/HO.18O.6V/h1H;;;;;;;;;;;;;;;;;;;;;;;;/rHO19V6/c1-20-8-21(2)12-22(3,9-20)14-24(5,11-20)15-23(4,10-20,13-21)18-25(6,7,16-21,17-22)19-24/h12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:19;1;3;5;7;9;11;13;14;15;16;17;18;20;21;22;23;24;25;2;4;6;8;10;12/CRV:1.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:26nO1VO1VO1VO1VO1VO1VO1OOOOOO3OOOOOOH/rB:;s2;;s4;;s6;s1;s8;;s10;;s12;s4s10;s4s6;s4s12;s2s4;s6s8;s6s12;s2s6;s8s10;s8s12;s2s8;s10s12;s2s10;s19;/rC:.0317,.0733,.0001;-.8245,-1.3829,1.5676;-1.5641,-2.3096,2.7616;-1.9149,1.1814,.0002;-3.2349,2.2394,.0002;.7632,1.3245,1.7113;1.5511,2.2887,2.8542;1.9133,-1.0888,.0001;3.2277,-2.1525,0;-.8245,-1.3827,-1.5678;-1.5641,-2.3092,-2.7619;.7633,1.324,-1.7113;1.551,2.2888,-2.8539;-2.2541,.0343,-1.3264;-.7114,2.2075,1.3169;-.7119,2.2051,-1.3173;-2.254,.0345,1.327;2.2938,.0621,1.3278;1.6234,2.2667,0;-.0071,.0214,2.6828;.7609,-2.122,-1.3254;2.2937,.0619,-1.3276;.7608,-2.123,1.3251;-.0069,.0211,-2.6831;-1.5266,-2.1251,-.0001;2.4516,1.7318,.0001;/R:/0/N:5,7,13,3,11,1,9,15,16,17,14,19,20,24,25,18,22,23,21,4,6,12,2,10,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)(18,19)(21,22)(23,24)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,12.3,25.6</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">5</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">5</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-8.34685832</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01512472</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00477055</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01512472</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00477055</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06177613</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01324226</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="0.034693"
                                 y3="0.065823"
                                 z3="0.000059"/>
                           <atom elementType="V"
                                 id="a2"
                                 x3="-0.832311"
                                 y3="-1.38045"
                                 z3="1.565758"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-1.565871"
                                 y3="-2.30699"
                                 z3="2.75093"/>
                           <atom elementType="V"
                                 id="a4"
                                 x3="-1.915622"
                                 y3="1.178556"
                                 z3="0.00006"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.221671"
                                 y3="2.238676"
                                 z3="0.000099"/>
                           <atom elementType="V"
                                 id="a6"
                                 x3="0.753092"
                                 y3="1.322071"
                                 z3="1.71702"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="1.529088"
                                 y3="2.284494"
                                 z3="2.856517"/>
                           <atom elementType="V"
                                 id="a8"
                                 x3="1.93274"
                                 y3="-1.070985"
                                 z3="0.000042"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="3.241976"
                                 y3="-2.124515"
                                 z3="0.000019"/>
                           <atom elementType="V"
                                 id="a10"
                                 x3="-0.832221"
                                 y3="-1.380411"
                                 z3="-1.565922"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-1.565827"
                                 y3="-2.307089"
                                 z3="-2.751035"/>
                           <atom elementType="V"
                                 id="a12"
                                 x3="0.753182"
                                 y3="1.321809"
                                 z3="-1.717093"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.528934"
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                                 z3="-2.856433"/>
                           <atom elementType="O"
                                 id="a14"
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                           <atom elementType="O"
                                 id="a15"
                                 x3="-0.718661"
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                           <atom elementType="O"
                                 id="a16"
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                                 id="a23"
                                 x3="0.772148"
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                                 id="a24"
                                 x3="-0.013712"
                                 y3="0.010576"
                                 z3="-2.689944"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.543629"
                                 y3="-2.118571"
                                 z3="-0.000128"/>
                           <atom elementType="H"
                                 id="a26"
                                 x3="2.467898"
                                 y3="1.670043"
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                        </atomArray>
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                           <bond atomRefs2="a2 a20" order="S"/>
                           <bond atomRefs2="a2 a25" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a17" order="S"/>
                           <bond atomRefs2="a2 a23" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a4 a17" order="S"/>
                           <bond atomRefs2="a6 a19" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a18" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a23" order="S"/>
                           <bond atomRefs2="a8 a22" order="S"/>
                           <bond atomRefs2="a8 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a10 a25" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a14" order="S"/>
                           <bond atomRefs2="a10 a21" order="S"/>
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                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a22" order="S"/>
                           <bond atomRefs2="a12 a16" order="S"/>
                           <bond atomRefs2="a12 a24" order="S"/>
                           <bond atomRefs2="a19 a26" order="S"/>
                        </bondArray>
                        <formula concise="HO19V6"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">609.6376000000001</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/HO.18O.6V/h1H;;;;;;;;;;;;;;;;;;;;;;;;/rHO19V6/c1-20-8-21(2)12-22(3,9-20)14-24(5,11-20)15-23(4,10-20,13-21)18-25(6,7,16-21,17-22)19-24/h12H">
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                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
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                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">6</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-8.34809598</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00748733</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00271328</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
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                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00271328</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                        <atomArray>
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                                 z3="0.000095"/>
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                                 id="a7"
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                                 z3="0.000172"/>
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                                 x3="3.244289"
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                                 z3="0.000109"/>
                           <atom elementType="V"
                                 id="a10"
                                 x3="-0.831813"
                                 y3="-1.378426"
                                 z3="-1.564639"/>
                           <atom elementType="O"
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                                 x3="-1.563648"
                                 y3="-2.308914"
                                 z3="-2.74988"/>
                           <atom elementType="V"
                                 id="a12"
                                 x3="0.75221"
                                 y3="1.321546"
                                 z3="-1.716719"/>
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                                 y3="2.285544"
                                 z3="-2.857875"/>
                           <atom elementType="O"
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                                 x3="-2.260005"
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                           <atom elementType="O"
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                                 x3="-0.716025"
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                                 z3="1.308396"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.716558"
                                 y3="2.218985"
                                 z3="-1.308773"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.259787"
                                 y3="0.041073"
                                 z3="1.339436"/>
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                                 id="a18"
                                 x3="2.305966"
                                 y3="0.079747"
                                 z3="1.340547"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="1.654103"
                                 y3="2.230654"
                                 z3="0.000025"/>
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                                 id="a20"
                                 x3="-0.01216"
                                 y3="0.010698"
                                 z3="2.689465"/>
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                                 id="a21"
                                 x3="0.771977"
                                 y3="-2.112387"
                                 z3="-1.317712"/>
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                                 id="a22"
                                 x3="2.30598"
                                 y3="0.079816"
                                 z3="-1.340279"/>
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                                 id="a23"
                                 x3="0.77184"
                                 y3="-2.113867"
                                 z3="1.317348"/>
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                                 id="a24"
                                 x3="-0.012051"
                                 y3="0.010492"
                                 z3="-2.689841"/>
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                                 id="a25"
                                 x3="-1.544097"
                                 y3="-2.117762"
                                 z3="-0.000058"/>
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                                 id="a26"
                                 x3="2.450845"
                                 y3="1.653365"
                                 z3="0.00017"/>
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                           <bond atomRefs2="a2 a20" order="S"/>
                           <bond atomRefs2="a2 a25" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a17" order="S"/>
                           <bond atomRefs2="a2 a23" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a4 a17" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a19" order="S"/>
                           <bond atomRefs2="a6 a18" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a23" order="S"/>
                           <bond atomRefs2="a8 a22" order="S"/>
                           <bond atomRefs2="a8 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a10 a25" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a14" order="S"/>
                           <bond atomRefs2="a10 a21" order="S"/>
                           <bond atomRefs2="a12 a19" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a22" order="S"/>
                           <bond atomRefs2="a12 a16" order="S"/>
                           <bond atomRefs2="a12 a24" order="S"/>
                           <bond atomRefs2="a19 a26" order="S"/>
                        </bondArray>
                        <formula concise="HO19V6"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">609.6376000000001</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/HO.18O.6V/h1H;;;;;;;;;;;;;;;;;;;;;;;;/rHO19V6/c1-20-8-21(2)12-22(3,9-20)14-24(5,11-20)15-23(4,10-20,13-21)18-25(6,7,16-21,17-22)19-24/h12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:19;1;3;5;7;9;11;13;14;15;16;17;18;20;21;22;23;24;25;2;4;6;8;10;12/CRV:1.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:26nO1VO1VO1VO1VO1VO1VO1OOOOOO3OOOOOOH/rB:;s2;;s4;;s6;s1;s8;;s10;;s12;s4s10;s4s6;s4s12;s2s4;s6s8;s6s12;s2s6;s8s10;s8s12;s2s8;s10s12;s2s10;s19;/rC:.0358,.0645,.0001;-.8317,-1.3786,1.5645;-1.5637,-2.309,2.7497;-1.913,1.1785,.0001;-3.2186,2.2402,.0001;.7521,1.322,1.7167;1.5253,2.2855,2.858;1.9339,-1.0703,.0002;3.2443,-2.1243,.0001;-.8318,-1.3784,-1.5646;-1.5636,-2.3089,-2.7499;.7522,1.3215,-1.7167;1.5252,2.2855,-2.8579;-2.26,.0409,-1.339;-.716,2.2209,1.3084;-.7166,2.219,-1.3088;-2.2598,.0411,1.3394;2.306,.0797,1.3405;1.6541,2.2307,0;-.0122,.0107,2.6895;.772,-2.1124,-1.3177;2.306,.0798,-1.3403;.7718,-2.1139,1.3173;-.0121,.0105,-2.6898;-1.5441,-2.1178,-.0001;2.4508,1.6534,.0002;/R:/0/N:5,7,13,3,11,1,9,15,16,17,14,19,20,24,25,18,22,23,21,4,6,12,2,10,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)(18,19)(21,22)(23,24)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,12.3,25.6</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">7</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">7</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-8.34832425</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00665340</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00187315</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00665340</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00187315</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02786076</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00492351</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
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                                 x3="0.03728"
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                                 z3="0.000115"/>
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                                 x3="-0.830815"
                                 y3="-1.375315"
                                 z3="1.562112"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-1.559592"
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                                 z3="2.747012"/>
                           <atom elementType="V"
                                 id="a4"
                                 x3="-1.908494"
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                                 z3="0.000114"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.21344"
                                 y3="2.241273"
                                 z3="0.000047"/>
                           <atom elementType="V"
                                 id="a6"
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                                 y3="1.322035"
                                 z3="1.71652"/>
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                                 id="a7"
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                                 z3="2.860957"/>
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                                 z3="0.000168"/>
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                                 id="a11"
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                                 id="a12"
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                                 x3="-1.544883"
                                 y3="-2.116445"
                                 z3="-0.000032"/>
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                                 id="a26"
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                           <bond atomRefs2="a2 a20" order="S"/>
                           <bond atomRefs2="a2 a25" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
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                           <bond atomRefs2="a2 a23" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a4 a17" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a19" order="S"/>
                           <bond atomRefs2="a6 a18" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a23" order="S"/>
                           <bond atomRefs2="a8 a22" order="S"/>
                           <bond atomRefs2="a8 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a10 a25" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a14" order="S"/>
                           <bond atomRefs2="a10 a21" order="S"/>
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                           <bond atomRefs2="a12 a24" order="S"/>
                           <bond atomRefs2="a19 a26" order="S"/>
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                        <formula concise="HO19V6"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">609.6376000000001</scalar>
                        </property>
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                                 inline="InChI=1/HO.18O.6V/h1H;;;;;;;;;;;;;;;;;;;;;;;;/rHO19V6/c1-20-8-21(2)12-22(3,9-20)14-24(5,11-20)15-23(4,10-20,13-21)18-25(6,7,16-21,17-22)19-24/h12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:19;1;3;5;7;9;11;13;14;15;16;17;18;20;21;22;23;24;25;2;4;6;8;10;12/CRV:1.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:26nO1VO1VO1VO1VO1VO1VO1OOOOOO3OOOOOOH/rB:;s2;;s4;;s6;s1;s8;;s10;;s12;s4s10;s4s6;s4s12;s2s4;s6s8;s6s12;s2s6;s8s10;s8s12;s2s8;s10s12;s2s10;s19;/rC:.0373,.0621,.0001;-.8308,-1.3753,1.5621;-1.5596,-2.3118,2.747;-1.9085,1.1783,.0001;-3.2134,2.2413,0;.7496,1.322,1.7165;1.518,2.2869,2.861;1.9359,-1.0692,.0002;3.2477,-2.1235,.0001;-.831,-1.3751,-1.5623;-1.5595,-2.3116,-2.7473;.7498,1.3215,-1.7166;1.5178,2.287,-2.8607;-2.2581,.0437,-1.3412;-.7127,2.2254,1.3063;-.7133,2.2232,-1.3069;-2.2577,.044,1.3416;2.3087,.0786,1.3415;1.6545,2.2367,.0001;-.01,.011,2.6892;.7712,-2.1108,-1.3159;2.3084,.0785,-1.3414;.7711,-2.1121,1.3156;-.01,.0109,-2.6896;-1.5449,-2.1164,0;2.4259,1.6255,.0004;/R:/0/N:5,7,13,3,11,1,9,15,16,17,14,19,20,24,25,18,22,23,21,4,6,12,2,10,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)(18,19)(21,22)(23,24)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,12.3,25.6</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
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                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">8</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-8.34848938</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00476669</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00123336</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00476669</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00123336</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00315259</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:current">0.00075212</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 y3="0.061398"
                                 z3="0.000106"/>
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                                 z3="1.561771"/>
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                                 z3="2.74663"/>
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                                 z3="0.000072"/>
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                                 z3="0.000038"/>
                           <atom elementType="V"
                                 id="a6"
                                 x3="0.748496"
                                 y3="1.32242"
                                 z3="1.717025"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="1.516147"
                                 y3="2.287111"
                                 z3="2.861894"/>
                           <atom elementType="V"
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                                 x3="1.936222"
                                 y3="-1.070047"
                                 z3="0.000078"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="3.24797"
                                 y3="-2.124394"
                                 z3="-0.000019"/>
                           <atom elementType="V"
                                 id="a10"
                                 x3="-0.831171"
                                 y3="-1.374814"
                                 z3="-1.561948"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-1.558719"
                                 y3="-2.312136"
                                 z3="-2.746842"/>
                           <atom elementType="V"
                                 id="a12"
                                 x3="0.748675"
                                 y3="1.32197"
                                 z3="-1.717096"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.515979"
                                 y3="2.287288"
                                 z3="-2.861672"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-2.257483"
                                 y3="0.043588"
                                 z3="-1.341091"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-0.712867"
                                 y3="2.225858"
                                 z3="1.306787"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.713339"
                                 y3="2.224105"
                                 z3="-1.307051"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.257229"
                                 y3="0.043833"
                                 z3="1.341326"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.308511"
                                 y3="0.077781"
                                 z3="1.340844"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="1.657318"
                                 y3="2.2372"
                                 z3="0.000093"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-0.010285"
                                 y3="0.011551"
                                 z3="2.689192"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.770353"
                                 y3="-2.110824"
                                 z3="-1.315365"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="2.308485"
                                 y3="0.077789"
                                 z3="-1.340914"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.770386"
                                 y3="-2.111498"
                                 z3="1.315292"/>
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                                 id="a24"
                                 x3="-0.010254"
                                 y3="0.011425"
                                 z3="-2.689531"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.545348"
                                 y3="-2.116648"
                                 z3="-0.000017"/>
                           <atom elementType="H"
                                 id="a26"
                                 x3="2.429063"
                                 y3="1.626331"
                                 z3="0.0004"/>
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                        <bondArray>
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                           <bond atomRefs2="a2 a20" order="S"/>
                           <bond atomRefs2="a2 a25" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a17" order="S"/>
                           <bond atomRefs2="a2 a23" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a4 a17" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a19" order="S"/>
                           <bond atomRefs2="a6 a18" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a23" order="S"/>
                           <bond atomRefs2="a8 a22" order="S"/>
                           <bond atomRefs2="a8 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a10 a25" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a14" order="S"/>
                           <bond atomRefs2="a10 a21" order="S"/>
                           <bond atomRefs2="a12 a19" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a22" order="S"/>
                           <bond atomRefs2="a12 a16" order="S"/>
                           <bond atomRefs2="a12 a24" order="S"/>
                           <bond atomRefs2="a19 a26" order="S"/>
                        </bondArray>
                        <formula concise="HO19V6"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">609.6376000000001</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/HO.18O.6V/h1H;;;;;;;;;;;;;;;;;;;;;;;;/rHO19V6/c1-20-8-21(2)12-22(3,9-20)14-24(5,11-20)15-23(4,10-20,13-21)18-25(6,7,16-21,17-22)19-24/h12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:19;1;3;5;7;9;11;13;14;15;16;17;18;20;21;22;23;24;25;2;4;6;8;10;12/CRV:1.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:26nO1VO1VO1VO1VO1VO1VO1OOOOOO3OOOOOOH/rB:;s2;;s4;;s6;s1;s8;;s10;;s12;s4s10;s4s6;s4s12;s2s4;s6s8;s6s12;s2s6;s8s10;s8s12;s2s8;s10s12;s2s10;s19;/rC:.0368,.0614,.0001;-.831,-1.375,1.5618;-1.5588,-2.3122,2.7466;-1.908,1.1782,.0001;-3.2135,2.2405,0;.7485,1.3224,1.717;1.5161,2.2871,2.8619;1.9362,-1.07,.0001;3.248,-2.1244,0;-.8312,-1.3748,-1.5619;-1.5587,-2.3121,-2.7468;.7487,1.322,-1.7171;1.516,2.2873,-2.8617;-2.2575,.0436,-1.3411;-.7129,2.2259,1.3068;-.7133,2.2241,-1.3071;-2.2572,.0438,1.3413;2.3085,.0778,1.3408;1.6573,2.2372,.0001;-.0103,.0116,2.6892;.7704,-2.1108,-1.3154;2.3085,.0778,-1.3409;.7704,-2.1115,1.3153;-.0103,.0114,-2.6895;-1.5453,-2.1166,0;2.4291,1.6263,.0004;/R:/0/N:5,7,13,3,11,1,9,15,16,17,14,19,20,24,25,18,22,23,21,4,6,12,2,10,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)(18,19)(21,22)(23,24)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,12.3,25.6</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">9</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">9</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-8.34852477</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00370845</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00100363</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00370845</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00100363</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00869360</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00217998</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="0.034944"
                                 y3="0.059602"
                                 z3="0.000053"/>
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                                 id="a2"
                                 x3="-0.831473"
                                 y3="-1.374071"
                                 z3="1.560543"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-1.556806"
                                 y3="-2.312261"
                                 z3="2.745994"/>
                           <atom elementType="V"
                                 id="a4"
                                 x3="-1.906695"
                                 y3="1.177491"
                                 z3="-0.000082"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.213964"
                                 y3="2.237464"
                                 z3="-0.000054"/>
                           <atom elementType="V"
                                 id="a6"
                                 x3="0.744648"
                                 y3="1.323811"
                                 z3="1.718961"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="1.511694"
                                 y3="2.287461"
                                 z3="2.864566"/>
                           <atom elementType="V"
                                 id="a8"
                                 x3="1.938062"
                                 y3="-1.072511"
                                 z3="-0.000226"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="3.24919"
                                 y3="-2.127717"
                                 z3="-0.000295"/>
                           <atom elementType="V"
                                 id="a10"
                                 x3="-0.831415"
                                 y3="-1.37419"
                                 z3="-1.560643"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-1.556957"
                                 y3="-2.312334"
                                 z3="-2.745953"/>
                           <atom elementType="V"
                                 id="a12"
                                 x3="0.744945"
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                                 z3="-1.719062"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.511413"
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                                 z3="-2.864423"/>
                           <atom elementType="O"
                                 id="a14"
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                                 z3="-1.340458"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-0.714091"
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                                 x3="-0.010935"
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                                 z3="-2.689758"/>
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                                 id="a25"
                                 x3="-1.547216"
                                 y3="-2.117338"
                                 z3="0.000027"/>
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                                 id="a26"
                                 x3="2.437614"
                                 y3="1.628031"
                                 z3="0.000413"/>
                        </atomArray>
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                           <bond atomRefs2="a2 a20" order="S"/>
                           <bond atomRefs2="a2 a25" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a17" order="S"/>
                           <bond atomRefs2="a2 a23" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a4 a17" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a19" order="S"/>
                           <bond atomRefs2="a6 a18" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a23" order="S"/>
                           <bond atomRefs2="a8 a22" order="S"/>
                           <bond atomRefs2="a8 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a10 a25" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a14" order="S"/>
                           <bond atomRefs2="a10 a21" order="S"/>
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                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a22" order="S"/>
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                           <bond atomRefs2="a12 a24" order="S"/>
                           <bond atomRefs2="a19 a26" order="S"/>
                        </bondArray>
                        <formula concise="HO19V6"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">609.6376000000001</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/HO.18O.6V/h1H;;;;;;;;;;;;;;;;;;;;;;;;/rHO19V6/c1-20-8-21(2)12-22(3,9-20)14-24(5,11-20)15-23(4,10-20,13-21)18-25(6,7,16-21,17-22)19-24/h12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:19;1;3;5;7;9;11;13;14;15;16;17;18;20;21;22;23;24;25;2;4;6;8;10;12/CRV:1.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:26nO1VO1VO1VO1VO1VO1VO1OOOOOO3OOOOOOH/rB:;s2;;s4;;s6;s1;s8;;s10;;s12;s4s10;s4s6;s4s12;s2s4;s6s8;s6s12;s2s6;s8s10;s8s12;s2s8;s10s12;s2s10;s19;/rC:.0349,.0596,.0001;-.8315,-1.3741,1.5605;-1.5568,-2.3123,2.746;-1.9067,1.1775,-.0001;-3.214,2.2375,-.0001;.7446,1.3238,1.719;1.5117,2.2875,2.8646;1.9381,-1.0725,-.0002;3.2492,-2.1277,-.0003;-.8314,-1.3742,-1.5606;-1.557,-2.3123,-2.746;.7449,1.3236,-1.7191;1.5114,2.2879,-2.8644;-2.2555,.0427,-1.3405;-.7141,2.2271,1.3083;-.714,2.227,-1.3077;-2.2558,.0429,1.3403;2.3079,.0753,1.3389;1.666,2.2388,.0001;-.0111,.0134,2.6896;.7685,-2.1109,-1.3139;2.3085,.0755,-1.3395;.7689,-2.1093,1.3143;-.0109,.0132,-2.6898;-1.5472,-2.1173,0;2.4376,1.628,.0004;/R:/0/N:5,7,13,3,11,1,9,15,16,17,14,19,20,24,25,18,22,23,21,4,6,12,2,10,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)(18,19)(21,22)(23,24)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,12.3,25.6</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">10</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">10</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-8.34859916</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00202046</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00056149</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00202046</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00056149</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00280346</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
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                        <scalar dataType="xsd:double" dictRef="cc:current">0.00075442</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                        <atomArray>
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                                 y3="0.059801"
                                 z3="0.000049"/>
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                                 z3="2.746319"/>
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                                 z3="-0.000048"/>
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                                 z3="-0.000099"/>
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                                 id="a6"
                                 x3="0.743368"
                                 y3="1.32444"
                                 z3="1.719759"/>
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                                 id="a7"
                                 x3="1.512107"
                                 y3="2.287417"
                                 z3="2.864738"/>
                           <atom elementType="V"
                                 id="a8"
                                 x3="1.939567"
                                 y3="-1.072847"
                                 z3="-0.00008"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="3.250142"
                                 y3="-2.128949"
                                 z3="-0.000207"/>
                           <atom elementType="V"
                                 id="a10"
                                 x3="-0.831293"
                                 y3="-1.374056"
                                 z3="-1.55992"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-1.556976"
                                 y3="-2.310626"
                                 z3="-2.74639"/>
                           <atom elementType="V"
                                 id="a12"
                                 x3="0.743651"
                                 y3="1.324092"
                                 z3="-1.719794"/>
                           <atom elementType="O"
                                 id="a13"
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                                 y3="2.287631"
                                 z3="-2.864573"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-2.255601"
                                 y3="0.041969"
                                 z3="-1.340151"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-0.714519"
                                 y3="2.228446"
                                 z3="1.307894"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.71478"
                                 y3="2.227306"
                                 z3="-1.307987"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.255261"
                                 y3="0.042327"
                                 z3="1.340293"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.308095"
                                 y3="0.074736"
                                 z3="1.339252"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="1.667254"
                                 y3="2.239791"
                                 z3="0.000124"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-0.011064"
                                 y3="0.014117"
                                 z3="2.690406"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.769273"
                                 y3="-2.109793"
                                 z3="-1.313986"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="2.30859"
                                 y3="0.075049"
                                 z3="-1.339315"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.769378"
                                 y3="-2.109632"
                                 z3="1.313805"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-0.010889"
                                 y3="0.013857"
                                 z3="-2.690481"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.547976"
                                 y3="-2.117876"
                                 z3="0.000074"/>
                           <atom elementType="H"
                                 id="a26"
                                 x3="2.435861"
                                 y3="1.625228"
                                 z3="0.000492"/>
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                        <bondArray>
                           <bond atomRefs2="a1 a8" order="S"/>
                           <bond atomRefs2="a2 a20" order="S"/>
                           <bond atomRefs2="a2 a25" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a17" order="S"/>
                           <bond atomRefs2="a2 a23" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a4 a17" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a19" order="S"/>
                           <bond atomRefs2="a6 a18" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a23" order="S"/>
                           <bond atomRefs2="a8 a22" order="S"/>
                           <bond atomRefs2="a8 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a10 a25" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a14" order="S"/>
                           <bond atomRefs2="a10 a21" order="S"/>
                           <bond atomRefs2="a12 a19" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a22" order="S"/>
                           <bond atomRefs2="a12 a16" order="S"/>
                           <bond atomRefs2="a12 a24" order="S"/>
                           <bond atomRefs2="a19 a26" order="S"/>
                        </bondArray>
                        <formula concise="HO19V6"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">609.6376000000001</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/HO.18O.6V/h1H;;;;;;;;;;;;;;;;;;;;;;;;/rHO19V6/c1-20-8-21(2)12-22(3,9-20)14-24(5,11-20)15-23(4,10-20,13-21)18-25(6,7,16-21,17-22)19-24/h12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:19;1;3;5;7;9;11;13;14;15;16;17;18;20;21;22;23;24;25;2;4;6;8;10;12/CRV:1.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:26nO1VO1VO1VO1VO1VO1VO1OOOOOO3OOOOOOH/rB:;s2;;s4;;s6;s1;s8;;s10;;s12;s4s10;s4s6;s4s12;s2s4;s6s8;s6s12;s2s6;s8s10;s8s12;s2s8;s10s12;s2s10;s19;/rC:.0338,.0598,0;-.8312,-1.3741,1.5598;-1.5568,-2.3107,2.7463;-1.9064,1.1768,0;-3.2139,2.2363,-.0001;.7434,1.3244,1.7198;1.5121,2.2874,2.8647;1.9396,-1.0728,-.0001;3.2501,-2.1289,-.0002;-.8313,-1.3741,-1.5599;-1.557,-2.3106,-2.7464;.7437,1.3241,-1.7198;1.5118,2.2876,-2.8646;-2.2556,.042,-1.3402;-.7145,2.2284,1.3079;-.7148,2.2273,-1.308;-2.2553,.0423,1.3403;2.3081,.0747,1.3393;1.6673,2.2398,.0001;-.0111,.0141,2.6904;.7693,-2.1098,-1.314;2.3086,.075,-1.3393;.7694,-2.1096,1.3138;-.0109,.0139,-2.6905;-1.548,-2.1179,.0001;2.4359,1.6252,.0005;/R:/0/N:5,7,13,3,11,1,9,15,16,17,14,19,20,24,25,18,22,23,21,4,6,12,2,10,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)(18,19)(21,22)(23,24)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,12.3,25.6</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">11</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">11</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-8.34861200</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00183213</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00047849</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00183213</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00047849</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00319637</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00126437</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="0.031298"
                                 y3="0.06117"
                                 z3="0.000052"/>
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                                 id="a2"
                                 x3="-0.83069"
                                 y3="-1.374592"
                                 z3="1.558795"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-1.557227"
                                 y3="-2.307546"
                                 z3="2.747605"/>
                           <atom elementType="V"
                                 id="a4"
                                 x3="-1.906316"
                                 y3="1.175791"
                                 z3="-0.000044"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.214248"
                                 y3="2.235054"
                                 z3="-0.000198"/>
                           <atom elementType="V"
                                 id="a6"
                                 x3="0.742046"
                                 y3="1.325426"
                                 z3="1.721193"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="1.514942"
                                 y3="2.287461"
                                 z3="2.864125"/>
                           <atom elementType="V"
                                 id="a8"
                                 x3="1.942053"
                                 y3="-1.073797"
                                 z3="0.000234"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="3.25175"
                                 y3="-2.131171"
                                 z3="0.000027"/>
                           <atom elementType="V"
                                 id="a10"
                                 x3="-0.831043"
                                 y3="-1.374358"
                                 z3="-1.558892"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-1.557382"
                                 y3="-2.307509"
                                 z3="-2.747624"/>
                           <atom elementType="V"
                                 id="a12"
                                 x3="0.742222"
                                 y3="1.325037"
                                 z3="-1.721133"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.514846"
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                                 z3="-2.864219"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-2.255871"
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                           <atom elementType="O"
                                 id="a15"
                                 x3="-0.715673"
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                                 z3="1.308418"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.716159"
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                                 z3="-1.309014"/>
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                                 id="a17"
                                 x3="-2.254984"
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                                 id="a23"
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                                 y3="-2.110805"
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                                 id="a24"
                                 x3="-0.010641"
                                 y3="0.015006"
                                 z3="-2.69197"/>
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                                 id="a25"
                                 x3="-1.548724"
                                 y3="-2.119384"
                                 z3="0.000079"/>
                           <atom elementType="H"
                                 id="a26"
                                 x3="2.432696"
                                 y3="1.623302"
                                 z3="0.000413"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a8" order="S"/>
                           <bond atomRefs2="a2 a20" order="S"/>
                           <bond atomRefs2="a2 a25" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a17" order="S"/>
                           <bond atomRefs2="a2 a23" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a4 a17" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a19" order="S"/>
                           <bond atomRefs2="a6 a18" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a23" order="S"/>
                           <bond atomRefs2="a8 a22" order="S"/>
                           <bond atomRefs2="a8 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a10 a25" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a14" order="S"/>
                           <bond atomRefs2="a10 a21" order="S"/>
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                           <bond atomRefs2="a12 a24" order="S"/>
                           <bond atomRefs2="a19 a26" order="S"/>
                        </bondArray>
                        <formula concise="HO19V6"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">609.6376000000001</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/HO.18O.6V/h1H;;;;;;;;;;;;;;;;;;;;;;;;/rHO19V6/c1-20-8-21(2)12-22(3,9-20)14-24(5,11-20)15-23(4,10-20,13-21)18-25(6,7,16-21,17-22)19-24/h12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:19;1;3;5;7;9;11;13;14;15;16;17;18;20;21;22;23;24;25;2;4;6;8;10;12/CRV:1.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:26nO1VO1VO1VO1VO1VO1VO1OOOOOO3OOOOOOH/rB:;s2;;s4;;s6;s1;s8;;s10;;s12;s4s10;s4s6;s4s12;s2s4;s6s8;s6s12;s2s6;s8s10;s8s12;s2s8;s10s12;s2s10;s19;/rC:.0313,.0612,.0001;-.8307,-1.3746,1.5588;-1.5572,-2.3075,2.7476;-1.9063,1.1758,0;-3.2142,2.2351,-.0002;.742,1.3254,1.7212;1.5149,2.2875,2.8641;1.9421,-1.0738,.0002;3.2517,-2.1312,0;-.831,-1.3744,-1.5589;-1.5574,-2.3075,-2.7476;.7422,1.325,-1.7211;1.5148,2.287,-2.8642;-2.2559,.0407,-1.3398;-.7157,2.2293,1.3084;-.7162,2.2277,-1.309;-2.255,.0411,1.3402;2.3084,.0737,1.3396;1.6668,2.2412,.0001;-.0107,.0152,2.692;.7706,-2.1081,-1.3143;2.3082,.0739,-1.339;.7703,-2.1108,1.3134;-.0106,.015,-2.692;-1.5487,-2.1194,.0001;2.4327,1.6233,.0004;/R:/0/N:5,7,13,3,11,1,9,15,16,17,14,19,20,24,25,18,22,23,21,4,6,12,2,10,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)(18,19)(21,22)(23,24)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,12.3,25.6</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
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                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">12</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-8.34863588</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00142345</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00040694</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00142345</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00040694</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00106949</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:current">0.00036290</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                        <atomArray>
                           <atom elementType="O"
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                                 x3="-3.214097"
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                                 z3="-0.000055"/>
                           <atom elementType="V"
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                                 x3="0.741854"
                                 y3="1.325577"
                                 z3="1.721486"/>
                           <atom elementType="O"
                                 id="a7"
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                                 x3="1.942756"
                                 y3="-1.073992"
                                 z3="0.000166"/>
                           <atom elementType="O"
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                                 x3="3.252374"
                                 y3="-2.131107"
                                 z3="0.000765"/>
                           <atom elementType="V"
                                 id="a10"
                                 x3="-0.831081"
                                 y3="-1.374468"
                                 z3="-1.558576"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-1.557156"
                                 y3="-2.307008"
                                 z3="-2.747856"/>
                           <atom elementType="V"
                                 id="a12"
                                 x3="0.742015"
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                                 z3="-1.721478"/>
                           <atom elementType="O"
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                                 z3="-2.863837"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-2.256061"
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                                 z3="-1.339948"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-0.715898"
                                 y3="2.229411"
                                 z3="1.308872"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.716317"
                                 y3="2.227949"
                                 z3="-1.309247"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.255312"
                                 y3="0.040879"
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                                 id="a18"
                                 x3="2.308489"
                                 y3="0.073627"
                                 z3="1.339317"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="1.666198"
                                 y3="2.240889"
                                 z3="0.000069"/>
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                                 id="a20"
                                 x3="-0.010431"
                                 y3="0.015383"
                                 z3="2.692302"/>
                           <atom elementType="O"
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                                 x3="0.770486"
                                 y3="-2.108366"
                                 z3="-1.314096"/>
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                                 id="a22"
                                 x3="2.308203"
                                 y3="0.073448"
                                 z3="-1.339286"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.770307"
                                 y3="-2.110432"
                                 z3="1.313331"/>
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                                 id="a24"
                                 x3="-0.010566"
                                 y3="0.015347"
                                 z3="-2.692392"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.548766"
                                 y3="-2.119997"
                                 z3="0.000016"/>
                           <atom elementType="H"
                                 id="a26"
                                 x3="2.431627"
                                 y3="1.62225"
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                           <bond atomRefs2="a2 a20" order="S"/>
                           <bond atomRefs2="a2 a25" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a17" order="S"/>
                           <bond atomRefs2="a2 a23" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a4 a17" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a19" order="S"/>
                           <bond atomRefs2="a6 a18" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a8 a22" order="S"/>
                           <bond atomRefs2="a8 a21" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a23" order="S"/>
                           <bond atomRefs2="a10 a25" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a14" order="S"/>
                           <bond atomRefs2="a10 a21" order="S"/>
                           <bond atomRefs2="a12 a19" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a22" order="S"/>
                           <bond atomRefs2="a12 a16" order="S"/>
                           <bond atomRefs2="a12 a24" order="S"/>
                           <bond atomRefs2="a19 a26" order="S"/>
                        </bondArray>
                        <formula concise="HO19V6"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">609.6376000000001</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/HO.18O.6V/h1H;;;;;;;;;;;;;;;;;;;;;;;;/rHO19V6/c1-20-8-21(2)12-22(3,9-20)14-24(5,11-20)15-23(4,10-20,13-21)18-25(6,7,16-21,17-22)19-24/h12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:19;1;3;5;7;9;11;13;14;15;16;17;18;20;21;22;23;24;25;2;4;6;8;10;12/CRV:1.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:26nO1VO1VO1VO1VO1VO1VO1OOOOOO3OOOOOOH/rB:;s2;;s4;;s6;s1;s8;;s10;;s12;s4s10;s4s6;s4s12;s2s4;s6s8;s6s12;s2s6;s8s10;s8s12;s2s8;s10s12;s2s10;s19;/rC:.0304,.0618,0;-.8307,-1.3747,1.5584;-1.5569,-2.3072,2.7477;-1.9063,1.1756,0;-3.2141,2.2352,-.0001;.7419,1.3256,1.7215;1.5157,2.2875,2.8638;1.9428,-1.074,.0002;3.2524,-2.1311,.0008;-.8311,-1.3745,-1.5586;-1.5572,-2.307,-2.7479;.742,1.3252,-1.7215;1.5156,2.2873,-2.8638;-2.2561,.0406,-1.3399;-.7159,2.2294,1.3089;-.7163,2.2279,-1.3092;-2.2553,.0409,1.3402;2.3085,.0736,1.3393;1.6662,2.2409,.0001;-.0104,.0154,2.6923;.7705,-2.1084,-1.3141;2.3082,.0734,-1.3393;.7703,-2.1104,1.3133;-.0106,.0153,-2.6924;-1.5488,-2.12,0;2.4316,1.6222,.0004;/R:/0/N:5,7,13,3,11,1,9,15,16,17,14,19,20,24,25,18,22,23,21,4,6,12,2,10,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)(18,19)(21,22)(23,24)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,12.3,25.6</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">13</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">13</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-8.34864401</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00108482</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00035604</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00108482</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00035604</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00336336</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00117730</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="0.027236"
                                 y3="0.064008"
                                 z3="0.000089"/>
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                                 id="a2"
                                 x3="-0.831251"
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                                 x3="-1.555708"
                                 y3="-2.306481"
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                           <atom elementType="V"
                                 id="a4"
                                 x3="-1.906322"
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                                 z3="-0.000116"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.213149"
                                 y3="2.236333"
                                 z3="-0.000081"/>
                           <atom elementType="V"
                                 id="a6"
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                                 y3="1.325892"
                                 z3="1.72236"/>
                           <atom elementType="O"
                                 id="a7"
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                                 z3="2.862666"/>
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                                 id="a8"
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                                 y3="-1.07461"
                                 z3="-0.000062"/>
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                                 z3="-0.000827"/>
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                                 id="a11"
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                                 id="a12"
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                                 z3="-1.722256"/>
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                                 id="a13"
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                                 x3="-0.716438"
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                                 z3="-2.693297"/>
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                                 id="a25"
                                 x3="-1.54886"
                                 y3="-2.122026"
                                 z3="-0.000017"/>
                           <atom elementType="H"
                                 id="a26"
                                 x3="2.428816"
                                 y3="1.618886"
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                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a25" order="S"/>
                           <bond atomRefs2="a2 a17" order="S"/>
                           <bond atomRefs2="a2 a23" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a4 a17" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a19" order="S"/>
                           <bond atomRefs2="a6 a18" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a23" order="S"/>
                           <bond atomRefs2="a8 a22" order="S"/>
                           <bond atomRefs2="a8 a21" order="S"/>
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                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a14" order="S"/>
                           <bond atomRefs2="a10 a21" order="S"/>
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                           <bond atomRefs2="a12 a16" order="S"/>
                           <bond atomRefs2="a19 a26" order="S"/>
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                        <property dictRef="cml:molmass">
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                        </property>
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                                 inline="InChI=1/HO.18O.6V/h1H;;;;;;;;;;;;;;;;;;;;;;;;/rHO18V6.O/c1-19-7-20(2)11-21(3,8-19)13-23(5,10-19)14-22(4,9-19,12-20)17-24(6,15-20,16-21)18-23;/h7H;">
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                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
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                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">14</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-8.34866707</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00108133</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
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                     </list>
                     <list cmlx:templateRef="gradrms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
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                                 z3="1.722088"/>
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                                 x3="1.51708"
                                 y3="2.28841"
                                 z3="2.862647"/>
                           <atom elementType="V"
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                                 x3="1.945024"
                                 y3="-1.074572"
                                 z3="-0.000127"/>
                           <atom elementType="O"
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                                 x3="3.255182"
                                 y3="-2.129753"
                                 z3="0.000029"/>
                           <atom elementType="V"
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                                 x3="-0.831449"
                                 y3="-1.374946"
                                 z3="-1.557169"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-1.555542"
                                 y3="-2.307552"
                                 z3="-2.74728"/>
                           <atom elementType="V"
                                 id="a12"
                                 x3="0.741724"
                                 y3="1.325594"
                                 z3="-1.722089"/>
                           <atom elementType="O"
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                                 x3="1.516994"
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                                 z3="-2.862447"/>
                           <atom elementType="O"
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                                 x3="-2.257064"
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                                 z3="-1.340944"/>
                           <atom elementType="O"
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                                 x3="-0.716302"
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                                 z3="1.310924"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.716239"
                                 y3="2.22936"
                                 z3="-1.310389"/>
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                                 x3="-2.257147"
                                 y3="0.04093"
                                 z3="1.340535"/>
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                                 id="a18"
                                 x3="2.308477"
                                 y3="0.072833"
                                 z3="1.338706"/>
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                                 id="a19"
                                 x3="1.664219"
                                 y3="2.237928"
                                 z3="0.000051"/>
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                                 id="a20"
                                 x3="-0.009706"
                                 y3="0.015931"
                                 z3="2.692894"/>
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                                 id="a21"
                                 x3="0.769452"
                                 y3="-2.109537"
                                 z3="-1.312701"/>
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                                 id="a22"
                                 x3="2.308652"
                                 y3="0.072636"
                                 z3="-1.339445"/>
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                                 id="a23"
                                 x3="0.76974"
                                 y3="-2.108387"
                                 z3="1.313188"/>
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                                 id="a24"
                                 x3="-0.009902"
                                 y3="0.016028"
                                 z3="-2.693017"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.549014"
                                 y3="-2.121917"
                                 z3="-0.000022"/>
                           <atom elementType="H"
                                 id="a26"
                                 x3="2.429548"
                                 y3="1.619043"
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                           <bond atomRefs2="a2 a20" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a25" order="S"/>
                           <bond atomRefs2="a2 a17" order="S"/>
                           <bond atomRefs2="a2 a23" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a4 a17" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a19" order="S"/>
                           <bond atomRefs2="a6 a18" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a8 a22" order="S"/>
                           <bond atomRefs2="a8 a21" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a23" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a25" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a14" order="S"/>
                           <bond atomRefs2="a10 a21" order="S"/>
                           <bond atomRefs2="a12 a19" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a22" order="S"/>
                           <bond atomRefs2="a12 a24" order="S"/>
                           <bond atomRefs2="a12 a16" order="S"/>
                           <bond atomRefs2="a19 a26" order="S"/>
                        </bondArray>
                        <formula concise="HO19V6"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">609.6376000000001</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/HO.18O.6V/h1H;;;;;;;;;;;;;;;;;;;;;;;;/rHO19V6/c1-20-8-21(2)12-22(3,9-20)14-24(5,11-20)15-23(4,10-20,13-21)18-25(6,7,16-21,17-22)19-24/h12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:19;1;3;5;7;9;11;13;14;15;16;17;18;20;21;22;23;24;25;2;4;6;8;10;12/CRV:1.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:26nO1VO1VO1VO1VO1VO1VO1OOOOOO3OOOOOOH/rB:;s2;s1;s4;;s6;;s8;;s10;;s12;s4s10;s4s6;s4s12;s2s4;s6s8;s6s12;s2s6;s8s10;s8s12;s2s8;s10s12;s2s10;s19;/rC:.0269,.0641,0;-.8314,-1.3749,1.5571;-1.5555,-2.3074,2.7472;-1.9062,1.1751,-.0001;-3.2126,2.2368,0;.7415,1.3258,1.7221;1.5171,2.2884,2.8626;1.945,-1.0746,-.0001;3.2552,-2.1298,0;-.8314,-1.3749,-1.5572;-1.5555,-2.3076,-2.7473;.7417,1.3256,-1.7221;1.517,2.2887,-2.8624;-2.2571,.041,-1.3409;-.7163,2.2295,1.3109;-.7162,2.2294,-1.3104;-2.2571,.0409,1.3405;2.3085,.0728,1.3387;1.6642,2.2379,.0001;-.0097,.0159,2.6929;.7695,-2.1095,-1.3127;2.3087,.0726,-1.3394;.7697,-2.1084,1.3132;-.0099,.016,-2.693;-1.549,-2.1219,0;2.4295,1.619,.0003;/R:/0/N:9,7,13,3,11,1,5,18,22,23,21,19,20,24,25,15,16,17,14,8,6,12,2,10,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)(18,19)(21,22)(23,24)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,12.3,25.6</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">15</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">15</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-8.34867820</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00103747</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00103747</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00023653</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00136588</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00046284</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
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                                 y3="0.064246"
                                 z3="0.000008"/>
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                                 x3="-0.831566"
                                 y3="-1.374906"
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                           <atom elementType="O"
                                 id="a3"
                                 x3="-1.555502"
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                                 z3="2.746361"/>
                           <atom elementType="V"
                                 id="a4"
                                 x3="-1.906082"
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                                 z3="-0.000111"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.211768"
                                 y3="2.23733"
                                 z3="0.000035"/>
                           <atom elementType="V"
                                 id="a6"
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                                 y3="1.325782"
                                 z3="1.721549"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="1.516299"
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                                 z3="2.862663"/>
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                                 z3="-0.000062"/>
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                                 z3="0.000316"/>
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                                 id="a11"
                                 x3="-1.555539"
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                                 z3="-2.746403"/>
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                           <atom elementType="O"
                                 id="a15"
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                                 y3="0.015792"
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                                 id="a25"
                                 x3="-1.549396"
                                 y3="-2.121599"
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                                 id="a26"
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                        </atomArray>
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                           <bond atomRefs2="a2 a20" order="S"/>
                           <bond atomRefs2="a2 a25" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a17" order="S"/>
                           <bond atomRefs2="a2 a23" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a4 a17" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a19" order="S"/>
                           <bond atomRefs2="a6 a18" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a8 a22" order="S"/>
                           <bond atomRefs2="a8 a21" order="S"/>
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                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a14" order="S"/>
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                           <bond atomRefs2="a12 a24" order="S"/>
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                        <property dictRef="cml:molmass">
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                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/HO.18O.6V/h1H;;;;;;;;;;;;;;;;;;;;;;;;/rHO19V6/c1-20-8-21(2)12-22(3,9-20)14-24(5,11-20)15-23(4,10-20,13-21)18-25(6,7,16-21,17-22)19-24/h12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:19;1;3;5;7;9;11;13;14;15;16;17;18;20;21;22;23;24;25;2;4;6;8;10;12/CRV:1.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:26nO1VO1VO1VO1VO1VO1VO1OOOOOO3OOOOOOH/rB:;s2;s1;s4;;s6;;s8;;s10;;s12;s4s10;s4s6;s4s12;s2s4;s6s8;s6s12;s2s6;s8s10;s8s12;s2s8;s10s12;s2s10;s19;/rC:.0262,.0642,0;-.8316,-1.3749,1.5569;-1.5555,-2.3088,2.7464;-1.9061,1.1748,-.0001;-3.2118,2.2373,0;.7417,1.3258,1.7215;1.5163,2.2889,2.8627;1.9452,-1.0745,-.0001;3.2559,-2.1293,.0003;-.8317,-1.3749,-1.557;-1.5555,-2.3088,-2.7464;.7419,1.3255,-1.7216;1.5161,2.289,-2.8625;-2.2578,.0411,-1.3409;-.7157,2.2301,1.3106;-.716,2.2294,-1.3105;-2.2572,.0413,1.3409;2.3084,.0727,1.3387;1.6641,2.2368,0;-.0097,.0159,2.6922;.7694,-2.1087,-1.3128;2.3087,.0727,-1.3391;.7695,-2.1087,1.3127;-.0097,.0158,-2.6924;-1.5494,-2.1216,0;2.4307,1.6195,.0004;/R:/0/N:9,7,13,3,11,1,5,18,22,23,21,19,20,24,25,15,16,17,14,8,6,12,2,10,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)(18,19)(21,22)(23,24)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,12.3,25.6</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">16</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">16</scalar>
                        <scalar dataType="xsd:string" dictRef="x:converged">CONVERGED</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-8.34866960</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00088036</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00019394</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00088036</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00019394</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00121768</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00032626</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="adf">
                  <module cmlx:templateRef="adf.runtype">
                     <module cmlx:templateRef="symmetry">
                        <scalar dataType="xsd:string" dictRef="a:symmetry">NOSYM</scalar>
                        <scalar dataType="xsd:integer" dictRef="a:charge">-7</scalar>
                     </module>
                  </module>
                  <module cmlx:templateRef="adf.frequencyanalysis">
                     <module cmlx:templateRef="masses">
                        <array dataType="xsd:string" dictRef="cc:elementType" size="26">O V O V O V O V O V O V O O O O O O O O O O O O O H</array>
                        <array dataType="xsd:double" dictRef="cc:atomicmass" size="26">15.99491400 50.94396300 15.99491400 50.94396300 15.99491400 50.94396300 15.99491400 50.94396300 15.99491400 50.94396300 15.99491400 50.94396300 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 1.00782500</array>
                     </module>
                     <module cmlx:templateRef="thermochemistry">
                        <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.000000</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.150000</scalar>
                        <array dataType="xsd:double" dictRef="cc:moi" size="3">10337.7155 10516.2996 10600.2380</array>
                        <scalar dataType="xsd:integer" dictRef="cc:symmnumber">1</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:pointgroup">NOSYM</scalar>
                        <module cmlx:templateRef="energies">
                           <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
                           <list cmlx:templateRef="entropy">
                              <scalar dataType="xsd:double"
                                      dictRef="cc:transl"
                                      units="nonsi2:cal.mol-1.K-1">45.111</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:rotat"
                                      units="nonsi2:cal.mol-1.K-1">35.398</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:vibrat"
                                      units="nonsi2:cal.mol-1.K-1">91.182</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:total"
                                      units="nonsi2:cal.mol-1.K-1">171.691</scalar>
                           </list>
                           <list cmlx:templateRef="internalEnergy">
                              <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi2:kcal.mol-1">0.889</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi2:kcal.mol-1">0.889</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi2:kcal.mol-1">61.685</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi2:kcal.mol-1">63.463</scalar>
                           </list>
                           <list cmlx:templateRef="heat">
                              <scalar dataType="xsd:double"
                                      dictRef="cc:transl"
                                      units="nonsi2:cal.mol-1.K-1">2.981</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:rotat"
                                      units="nonsi2:cal.mol-1.K-1">2.981</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:vibrat"
                                      units="nonsi2:cal.mol-1.K-1">100.125</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:total"
                                      units="nonsi2:cal.mol-1.K-1">106.087</scalar>
                           </list>
                        </module>
                     </module>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:cputime">
                  <scalar dataType="xsd:double">8276.60</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">652.24</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">9233.23</scalar>
               </property>
               <property dictRef="cc:zeropoint">
                  <scalar dataType="xsd:double"
                          dictRef="cc:zeropoint"
                          units="nonsi:electronvolt">1.988111</scalar>
               </property>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
                     <array dataType="xsd:double" dictRef="cc:frequency" size="72">-60.098 87.008 116.381 122.715 139.216 145.010 151.838 164.367 164.486 174.776 180.591 184.285 191.161 191.502 195.127 199.660 201.463 208.240 213.313 214.455 217.733 219.004 219.823 234.249 235.551 239.304 248.751 252.543 294.858 307.719 315.073 318.610 340.415 346.895 369.346 376.139 376.606 384.593 391.702 399.385 408.998 413.783 414.252 421.437 430.126 451.415 455.326 475.837 476.785 493.430 508.897 523.279 529.767 551.187 581.599 595.468 619.664 628.694 678.530 714.354 724.339 730.030 740.320 768.174 803.654 830.544 833.849 834.021 839.839 842.392 903.350 3513.162</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="26">O V O V O V O V O V O V O O O O O O O O O O O O O H</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="5616">-0.000 -0.001 0.053 0.053 -0.148 0.048 -0.093 -0.034 0.057 -0.000 0.000 0.234 -0.000 -0.000 -0.086 0.007 -0.177 -0.043 -0.087 0.019 -0.145 -0.000 -0.000 -0.217 -0.001 -0.001 0.108 -0.052 0.148 0.049 0.093 0.035 0.058 -0.007 0.177 -0.044 0.086 -0.017 -0.146 0.207 -0.023 0.010 -0.050 -0.098 -0.258 0.050 0.097 -0.257 -0.208 0.022 0.009 -0.216 0.039 0.004 -0.000 -0.001 -0.199 -0.215 0.073 0.058 0.044 0.078 0.262 0.216 -0.040 0.003 -0.044 -0.078 0.262 0.215 -0.073 0.057 0.000 -0.000 0.077 -0.001 -0.002 -0.150 -0.001 -0.000 0.222 -0.150 -0.043 -0.233 -0.019 0.003 -0.108 0.001 0.000 0.169 0.001 0.000 0.139 -0.086 -0.081 0.038 0.128 0.134 -0.261 -0.000 -0.001 0.203 0.001 0.002 0.088 0.149 0.043 -0.233 0.020 -0.004 -0.108 0.087 0.081 0.037 -0.128 -0.135 -0.264 0.012 -0.025 0.212 -0.033 0.050 -0.003 0.033 -0.052 -0.004 -0.012 0.024 0.212 0.196 0.133 -0.042 -0.001 0.002 -0.305 0.119 0.087 0.120 -0.074 -0.142 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                            size="72"
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                            dictRef="cc:absortion"
                            size="72"
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                  </module>
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               <property>
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                        <array dataType="xsd:double"
                               dictRef="a:oldfreq"
                               size="1"
                               units="nonsi:cm-1">-60.098</array>
                        <array dataType="xsd:double"
                               dictRef="a:newfreq"
                               size="1"
                               units="nonsi:cm-1">113.587</array>
                        <array dataType="xsd:double"
                               dictRef="a:dipolederivX"
                               size="1"
                               units="nonsi:hartree">0.000</array>
                        <array dataType="xsd:double"
                               dictRef="a:dipolederivY"
                               size="1"
                               units="nonsi:hartree">-0.002</array>
                        <array dataType="xsd:double"
                               dictRef="a:dipolederivZ"
                               size="1"
                               units="nonsi:hartree">-0.012</array>
                        <array dataType="xsd:double"
                               dictRef="cc:irintensity"
                               size="1"
                               units="nonsi2:km.mol-1">0.151</array>
                        <array dataType="xsd:double"
                               dictRef="cc:forceconst"
                               size="1"
                               units="nonsi:hartree">0.01606079</array>
                        <array dataType="xsd:double"
                               dictRef="cc:redmass"
                               size="1"
                               units="nonsi:hartree">32.893896</array>
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                                   units="nonsi2:cal.mol-1.K-1">35.398</scalar>
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                           <scalar dataType="xsd:double"
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                        </list>
                        <list cmlx:templateRef="internalEnergy">
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                           <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi2:kcal.mol-1">0.889</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi2:kcal.mol-1">62.293</scalar>
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                        </list>
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                                   dictRef="cc:transl"
                                   units="nonsi2:cal.mol-1.K-1">2.981</scalar>
                           <scalar dataType="xsd:double"
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                                   units="nonsi2:cal.mol-1.K-1">2.981</scalar>
                           <scalar dataType="xsd:double"
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                                   units="nonsi2:cal.mol-1.K-1">102.063</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:total"
                                   units="nonsi2:cal.mol-1.K-1">108.025</scalar>
                        </list>
                     </module>
                  </module>
               </property>
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                        x3="-0.009747"
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                  <bond atomRefs2="a10 a11" order="S"/>
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                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a19 a26" order="S"/>
               </bondArray>
               <formula concise="HO19V6"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">609.6376000000001</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/HO.18O.6V/h1H;;;;;;;;;;;;;;;;;;;;;;;;/rHO19V6/c1-20-8-21(2)12-22(3,9-20)14-24(5,11-20)15-23(4,10-20,13-21)18-25(6,7,16-21,17-22)19-24/h12H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:19;1;3;5;7;9;11;13;14;15;16;17;18;20;21;22;23;24;25;2;4;6;8;10;12/CRV:1.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:26nO1VO1VO1VO1VO1VO1VO1OOOOOO3OOOOOOH/rB:;s2;s1;s4;;s6;;s8;;s10;;s12;s4s10;s4s6;s4s12;s2s4;s6s8;s6s12;s2s6;s8s10;s8s12;s2s8;s10s12;s2s10;s19;/rC:.0262,.0642,0;-.8316,-1.3749,1.5569;-1.5555,-2.3088,2.7464;-1.9061,1.1748,-.0001;-3.2118,2.2373,0;.7417,1.3258,1.7215;1.5163,2.2889,2.8627;1.9452,-1.0745,-.0001;3.2559,-2.1293,.0003;-.8317,-1.3749,-1.557;-1.5555,-2.3088,-2.7464;.7419,1.3255,-1.7216;1.5161,2.289,-2.8625;-2.2578,.0411,-1.3409;-.7157,2.2301,1.3106;-.716,2.2294,-1.3105;-2.2572,.0413,1.3409;2.3084,.0727,1.3387;1.6641,2.2368,0;-.0097,.0159,2.6922;.7694,-2.1087,-1.3128;2.3087,.0727,-1.3391;.7695,-2.1087,1.3127;-.0097,.0158,-2.6924;-1.5494,-2.1216,0;2.4307,1.6195,.0004;/R:/0/N:9,7,13,3,11,1,5,18,22,23,21,19,20,24,25,15,16,17,14,8,6,12,2,10,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)(18,19)(21,22)(23,24)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,12.3,25.6</scalar>
               </formula>
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            <module dictRef="cc:userDefinedModule" id="otherComponents">
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                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="20">91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="20">2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="20"
                            units="nonsi:electronvolt">-4.638 -4.633 -4.427 -4.415 -4.160 -4.003 -3.975 -3.914 -3.700 -3.670 -1.193 -1.141 -1.113 -1.048 -1.007 -0.953 -0.818 -0.793 -0.724 -0.657</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="20">A A A A A A A A A A A A A A A A A A A A</array>
                  </list>
               </module>
               <module cmlx:templateRef="fit.test" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:sumfragments">0.00000000039581</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00018749787883</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00008873422850</scalar>
               </module>
               <module cmlx:templateRef="mulliken" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="26">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="26">O V O V O V O V O V O V O O O O O O O O O O O O O H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="26">-1.1233 1.7261 -0.9042 1.7291 -0.9235 1.7704 -0.9195 1.7187 -0.9185 1.7261 -0.9042 1.7703 -0.9194 -0.9268 -0.9209 -0.9210 -0.9268 -0.9554 -0.8723 -0.9344 -0.9108 -0.9555 -0.9108 -0.9344 -0.9402 0.2813</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="26">1.9009 2.0104 1.9529 2.0149 1.9503 2.0171 1.9512 2.0293 1.9513 2.0104 1.9529 2.0170 1.9512 1.9414 1.9450 1.9450 1.9414 1.9402 1.8851 1.9420 1.9443 1.9402 1.9443 1.9420 1.9399 0.5915</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="26">5.1955 6.2080 4.9309 6.2039 4.9533 6.1727 4.9482 6.2075 4.9472 6.2080 4.9308 6.1728 4.9481 4.9617 4.9518 4.9519 4.9617 4.9912 4.9553 4.9678 4.9424 4.9913 4.9424 4.9677 4.9751 0.1272</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="26">0.0270 3.0555 0.0205 3.0521 0.0199 3.0399 0.0201 3.0445 0.0200 3.0555 0.0205 3.0399 0.0201 0.0238 0.0241 0.0241 0.0238 0.0240 0.0319 0.0246 0.0240 0.0240 0.0240 0.0246 0.0252 0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="26">0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="atomic.charges" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="26">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="26">O V O V O V O V O V O V O O O O O O O O O O O O O H</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="26">-1.123419 2.041871 -1.010967 2.039160 -1.029782 2.035832 -1.026833 2.043916 -1.026075 2.041845 -1.010892 2.035837 -1.026760 -1.031313 -1.018941 -1.018950 -1.031311 -1.014698 -0.718065 -1.030533 -1.015748 -1.014859 -1.015722 -1.030529 -1.031146 -0.011920</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="26">-0.441399 1.634791 -0.943671 1.634104 -0.964026 1.638230 -0.953583 1.630946 -0.961275 1.634838 -0.943582 1.638262 -0.953498 -0.921247 -0.900456 -0.900400 -0.921202 -0.900560 -0.909962 -0.911379 -0.906196 -0.900782 -0.906127 -0.911393 -0.897353 0.236919</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="26">-0.585992 1.714235 -0.898279 1.697416 -0.924980 1.685494 -0.927477 1.694036 -0.915126 1.714267 -0.898177 1.685537 -0.927359 -0.967574 -0.933186 -0.933212 -0.967575 -0.971457 -0.934387 -0.952628 -0.946874 -0.971662 -0.946779 -0.952642 -0.951155 0.315534</array>
                  </list>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">0.64481105 -1.47946665 -0.00254276</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">1.61388020</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">3.92240372 2.56354101 -0.00362341 -0.68483582 -0.00345235 -3.23756790</array>
               </module>
               <module cmlx:templateRef="bonding.energy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-148.5944</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">202.3622</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">5.8419</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-210.9011</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-75.8874</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-227.1789</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Sep09-2020 01:49:57  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Sep09-2020 01:49:57  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Sep09-2020 01:49:58  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Sep09-2020 01:49:58  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Vanadium (TZP, 2p frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Sep09-2020 01:49:59  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Sep09-2020 01:49:59  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Oxygen (TZP, 1s frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Sep09-2020 01:50:01  Nodes: 1  Procs: 28</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">*** (NO TITLE) ***</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">-7</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-8.31470664</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-8.32470392</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-8.33891672</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-8.34494626</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-8.34685832</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-8.34809598</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-8.34832425</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-8.34848938</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-8.34852477</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-8.34859916</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-8.34861200</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-8.34863588</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-8.34864401</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-8.34866707</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-8.34867820</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-8.34866960</scalar>
                  <scalar dataType="xsd:string" dictRef="a:converged">GEOMETRY CONVERGED</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
