<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns: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:t="http://www.iochem-bd.org/dictionary/turbomole/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="turbomole.job.last">
   <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">TURBOMOLE</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string" id="programVersion">7.3</scalar>
               </parameter>
               <parameter dictRef="cc:programDate">
                  <scalar dataType="xsd:string">9 Jul 2018 at 10:31:25</scalar>
               </parameter>
               <parameter dictRef="cc:hostname">
                  <scalar dataType="xsd:string">node075.lawrence</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Local memory allocated for RDGRAD: 8 MiB</scalar>
               </parameter>
               <parameter dictRef="cc:date">
                  <scalar dataType="xsd:date">2024-02-07T15:54:28.633</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="t:atoms">
                  <list cmlx:templateRef="atoms">
                     <module cmlx:templateRef="atomdef">
                        <list dictRef="t:atom">
                           <scalar dataType="xsd:string" dictRef="cc:elementType">v</scalar>
                           <scalar dataType="xsd:string" dictRef="t:atomrange">1,3,36,38,40,73</scalar>
                        </list>
                        <list dictRef="t:basis">
                           <scalar dataType="xsd:string" dictRef="cc:elementType">v</scalar>
                           <scalar dataType="xsd:string" dictRef="t:basis">def2-TZVP</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="atomdef">
                        <list dictRef="t:atom">
                           <scalar dataType="xsd:string" dictRef="cc:elementType">o</scalar>
                           <scalar dataType="xsd:string" dictRef="t:atomrange">2,4-11,37,39,41-47,72</scalar>
                        </list>
                        <list dictRef="t:basis">
                           <scalar dataType="xsd:string" dictRef="cc:elementType">o</scalar>
                           <scalar dataType="xsd:string" dictRef="t:basis">def2-TZVP</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="atomdef">
                        <list dictRef="t:atom">
                           <scalar dataType="xsd:string" dictRef="cc:elementType">c</scalar>
                           <scalar dataType="xsd:string" dictRef="t:atomrange">12,16,20,24,28,32,48,52,56,60,64,68</scalar>
                        </list>
                        <list dictRef="t:basis">
                           <scalar dataType="xsd:string" dictRef="cc:elementType">c</scalar>
                           <scalar dataType="xsd:string" dictRef="t:basis">def2-TZVP</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="atomdef">
                        <list dictRef="t:atom">
                           <scalar dataType="xsd:string" dictRef="cc:elementType">h</scalar>
                           <scalar dataType="xsd:string" dictRef="t:atomrange">13-15,17-19,21-23,25-27,29-31,33-35,49-51,53-55,57-59,61-63,65-67,69-71,</scalar>
                        </list>
                        <list dictRef="t:basis">
                           <scalar dataType="xsd:string" dictRef="cc:elementType">h</scalar>
                           <scalar dataType="xsd:string" dictRef="t:basis">def2-TZVP</scalar>
                        </list>
                     </module>
                  </list>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">uhf</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">dft</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">pbe0</scalar>
               </parameter>
               <parameter dictRef="t:dftgridsize">
                  <scalar dataType="xsd:string">m4</scalar>
               </parameter>
               <parameter dictRef="t:ri">
                  <scalar dataType="xsd:string">rij</scalar>
               </parameter>
               <parameter dictRef="t:basis">
                  <list id="turbomole.basis">
                     <array dataType="xsd:string" dictRef="cc:elementType" size="4">v o c h</array>
                     <array dataType="xsd:string" dictRef="cc:basis" size="4">def2-TZVP def2-TZVP def2-TZVP def2-TZVP</array>
                     <array dataType="xsd:string" dictRef="cc:contraction" size="4">6s4p4d1f 5s3p2d1f 5s3p2d1f 3s1p</array>
                  </list>
               </parameter>
            </parameterList>
            <molecule id="initial">
               <atomArray>
                  <atom elementType="V"
                        id="a1"
                        x3="0.94783799"
                        y3="-2.12870655"
                        z3="0.34851892"/>
                  <atom elementType="O"
                        id="a2"
                        x3="1.52185599"
                        y3="-3.5896605"
                        z3="0.5308264"/>
                  <atom elementType="V"
                        id="a3"
                        x3="0.94096162"
                        y3="0.09311299"
                        z3="-2.10537738"/>
                  <atom elementType="O"
                        id="a4"
                        x3="1.55547343"
                        y3="0.14202186"
                        z3="-3.56234474"/>
                  <atom elementType="O"
                        id="a5"
                        x3="-0.85777294"
                        y3="-2.59830161"
                        z3="-0.47810795"/>
                  <atom elementType="O"
                        id="a6"
                        x3="1.54418569"
                        y3="-1.72530791"
                        z3="-1.52538585"/>
                  <atom elementType="O"
                        id="a7"
                        x3="-0.86025827"
                        y3="-0.7724061"
                        z3="-2.55836142"/>
                  <atom elementType="O"
                        id="a8"
                        x3="2.36702911"
                        y3="-0.96440685"
                        z3="1.08587335"/>
                  <atom elementType="O"
                        id="a9"
                        x3="2.42086077"
                        y3="0.84810996"
                        z3="-1.00553705"/>
                  <atom elementType="O"
                        id="a10"
                        x3="0.01065846"
                        y3="1.87656173"
                        z3="-2.02898595"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-0.05240509"
                        y3="-0.0309883"
                        z3="-0.0127516"/>
                  <atom elementType="C"
                        id="a12"
                        x3="-1.3293863"
                        y3="-3.90892745"
                        z3="-0.50902853"/>
                  <atom elementType="H"
                        id="a13"
                        x3="-2.40356948"
                        y3="-3.93378606"
                        z3="-0.73362162"/>
                  <atom elementType="H"
                        id="a14"
                        x3="-1.1694906"
                        y3="-4.40045299"
                        z3="0.45576653"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-0.79596437"
                        y3="-4.49071589"
                        z3="-1.27112504"/>
                  <atom elementType="C"
                        id="a16"
                        x3="2.797896"
                        y3="-2.13950328"
                        z3="-1.99596856"/>
                  <atom elementType="H"
                        id="a17"
                        x3="2.75216683"
                        y3="-2.27576726"
                        z3="-3.08290686"/>
                  <atom elementType="H"
                        id="a18"
                        x3="3.0800575"
                        y3="-3.08496042"
                        z3="-1.52129313"/>
                  <atom elementType="H"
                        id="a19"
                        x3="3.57111552"
                        y3="-1.39319793"
                        z3="-1.78586045"/>
                  <atom elementType="C"
                        id="a20"
                        x3="-0.77625575"
                        y3="-1.85863052"
                        z3="-3.42674609"/>
                  <atom elementType="H"
                        id="a21"
                        x3="-0.24921797"
                        y3="-1.56785959"
                        z3="-4.34135115"/>
                  <atom elementType="H"
                        id="a22"
                        x3="-1.77978298"
                        y3="-2.21100339"
                        z3="-3.73500261"/>
                  <atom elementType="H"
                        id="a23"
                        x3="-0.24436913"
                        y3="-2.69679149"
                        z3="-2.96483473"/>
                  <atom elementType="C"
                        id="a24"
                        x3="3.72789605"
                        y3="-1.29794716"
                        z3="1.07192175"/>
                  <atom elementType="H"
                        id="a25"
                        x3="4.20679457"
                        y3="-0.90572197"
                        z3="1.97599124"/>
                  <atom elementType="H"
                        id="a26"
                        x3="4.23882184"
                        y3="-0.8611691"
                        z3="0.20699978"/>
                  <atom elementType="H"
                        id="a27"
                        x3="3.84597876"
                        y3="-2.38585108"
                        z3="1.04099586"/>
                  <atom elementType="C"
                        id="a28"
                        x3="3.21078158"
                        y3="1.83263269"
                        z3="-1.61889354"/>
                  <atom elementType="H"
                        id="a29"
                        x3="3.89980301"
                        y3="2.26538116"
                        z3="-0.88653614"/>
                  <atom elementType="H"
                        id="a30"
                        x3="2.5967081"
                        y3="2.63278528"
                        z3="-2.04491547"/>
                  <atom elementType="H"
                        id="a31"
                        x3="3.78480077"
                        y3="1.38023067"
                        z3="-2.43595811"/>
                  <atom elementType="C"
                        id="a32"
                        x3="-0.68321447"
                        y3="2.25494901"
                        z3="-3.18894572"/>
                  <atom elementType="H"
                        id="a33"
                        x3="-1.09244316"
                        y3="3.26292362"
                        z3="-3.06024508"/>
                  <atom elementType="H"
                        id="a34"
                        x3="-1.50841186"
                        y3="1.56453134"
                        z3="-3.40060946"/>
                  <atom elementType="H"
                        id="a35"
                        x3="0.0007958"
                        y3="2.2407576"
                        z3="-4.0442736"/>
                  <atom elementType="V"
                        id="a36"
                        x3="-0.9474635"
                        y3="2.12393058"
                        z3="-0.28178"/>
                  <atom elementType="O"
                        id="a37"
                        x3="-1.62310909"
                        y3="3.53825952"
                        z3="-0.48894627"/>
                  <atom elementType="V"
                        id="a38"
                        x3="1.90142471"
                        y3="0.98242128"
                        z3="0.93599796"/>
                  <atom elementType="O"
                        id="a39"
                        x3="3.1959202"
                        y3="1.62891881"
                        z3="1.56262687"/>
                  <atom elementType="V"
                        id="a40"
                        x3="-0.96837268"
                        y3="-0.10552472"
                        z3="2.18755792"/>
                  <atom elementType="O"
                        id="a41"
                        x3="-1.63861992"
                        y3="-0.20642661"
                        z3="3.61437354"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.79507936"
                        y3="2.60109673"
                        z3="0.52819983"/>
                  <atom elementType="O"
                        id="a43"
                        x3="-1.62218269"
                        y3="1.67622557"
                        z3="1.5521913"/>
                  <atom elementType="O"
                        id="a44"
                        x3="0.76650608"
                        y3="0.7707033"
                        z3="2.57370134"/>
                  <atom elementType="O"
                        id="a45"
                        x3="-2.41529303"
                        y3="0.9304318"
                        z3="-1.03678428"/>
                  <atom elementType="O"
                        id="a46"
                        x3="-2.45112575"
                        y3="-0.92227899"
                        z3="1.04891317"/>
                  <atom elementType="O"
                        id="a47"
                        x3="-0.00902248"
                        y3="-1.86554991"
                        z3="2.09080603"/>
                  <atom elementType="C"
                        id="a48"
                        x3="1.34072336"
                        y3="3.85068485"
                        z3="0.20526093"/>
                  <atom elementType="H"
                        id="a49"
                        x3="2.35515086"
                        y3="3.92837832"
                        z3="0.60845185"/>
                  <atom elementType="H"
                        id="a50"
                        x3="1.37621372"
                        y3="4.00462446"
                        z3="-0.87879399"/>
                  <atom elementType="H"
                        id="a51"
                        x3="0.71754968"
                        y3="4.64251501"
                        z3="0.63666719"/>
                  <atom elementType="C"
                        id="a52"
                        x3="-2.94611672"
                        y3="1.99777145"
                        z3="1.87968659"/>
                  <atom elementType="H"
                        id="a53"
                        x3="-3.06283788"
                        y3="1.99545151"
                        z3="2.96891726"/>
                  <atom elementType="H"
                        id="a54"
                        x3="-3.19400721"
                        y3="2.98980229"
                        z3="1.4872125"/>
                  <atom elementType="H"
                        id="a55"
                        x3="-3.64981201"
                        y3="1.26526082"
                        z3="1.46606943"/>
                  <atom elementType="C"
                        id="a56"
                        x3="0.72169488"
                        y3="1.87458503"
                        z3="3.44653359"/>
                  <atom elementType="H"
                        id="a57"
                        x3="0.21127552"
                        y3="1.58306439"
                        z3="4.37057949"/>
                  <atom elementType="H"
                        id="a58"
                        x3="1.74360491"
                        y3="2.19401299"
                        z3="3.67521104"/>
                  <atom elementType="H"
                        id="a59"
                        x3="0.18134688"
                        y3="2.710928"
                        z3="2.99307525"/>
                  <atom elementType="C"
                        id="a60"
                        x3="-3.69815225"
                        y3="1.32694477"
                        z3="-1.3750954"/>
                  <atom elementType="H"
                        id="a61"
                        x3="-3.92250726"
                        y3="1.08888084"
                        z3="-2.43064112"/>
                  <atom elementType="H"
                        id="a62"
                        x3="-4.4544433"
                        y3="0.84823858"
                        z3="-0.7315543"/>
                  <atom elementType="H"
                        id="a63"
                        x3="-3.81003124"
                        y3="2.40955351"
                        z3="-1.26223406"/>
                  <atom elementType="C"
                        id="a64"
                        x3="-3.11051431"
                        y3="-2.0326638"
                        z3="1.59173554"/>
                  <atom elementType="H"
                        id="a65"
                        x3="-3.79120242"
                        y3="-2.47525009"
                        z3="0.85408238"/>
                  <atom elementType="H"
                        id="a66"
                        x3="-2.38867519"
                        y3="-2.79286702"
                        z3="1.90710693"/>
                  <atom elementType="H"
                        id="a67"
                        x3="-3.68624063"
                        y3="-1.72129606"
                        z3="2.46960203"/>
                  <atom elementType="C"
                        id="a68"
                        x3="0.71180068"
                        y3="-2.21932586"
                        z3="3.24824289"/>
                  <atom elementType="H"
                        id="a69"
                        x3="1.12437181"
                        y3="-3.2265254"
                        z3="3.12571113"/>
                  <atom elementType="H"
                        id="a70"
                        x3="1.53359172"
                        y3="-1.51889273"
                        z3="3.42467649"/>
                  <atom elementType="H"
                        id="a71"
                        x3="0.03962961"
                        y3="-2.19841276"
                        z3="4.11261228"/>
                  <atom elementType="O"
                        id="a72"
                        x3="-3.50519599"
                        y3="-1.74796662"
                        z3="-1.69746349"/>
                  <atom elementType="V"
                        id="a73"
                        x3="-1.70560653"
                        y3="-0.87980005"
                        z3="-0.75642434"/>
                  <atom elementType="H"
                        id="a74"
                        x3="-4.07278611"
                        y3="-1.00493267"
                        z3="-1.93447158"/>
                  <atom elementType="H"
                        id="a75"
                        x3="-3.18962727"
                        y3="-2.1179356"
                        z3="-2.53148866"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a47" order="S"/>
                  <bond atomRefs2="a1 a8" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a10" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a3 a9" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a5 a73" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a6 a16" order="S"/>
                  <bond atomRefs2="a7 a73" order="S"/>
                  <bond atomRefs2="a7 a20" order="S"/>
                  <bond atomRefs2="a8 a38" order="S"/>
                  <bond atomRefs2="a8 a24" order="S"/>
                  <bond atomRefs2="a9 a38" order="S"/>
                  <bond atomRefs2="a9 a28" order="S"/>
                  <bond atomRefs2="a10 a36" order="S"/>
                  <bond atomRefs2="a10 a32" order="S"/>
                  <bond atomRefs2="a11 a73" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a24 a25" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a38 a44" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a40 a46" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a43" order="S"/>
                  <bond atomRefs2="a40 a44" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a42 a48" order="S"/>
                  <bond atomRefs2="a43 a52" order="S"/>
                  <bond atomRefs2="a44 a56" order="S"/>
                  <bond atomRefs2="a45 a73" order="S"/>
                  <bond atomRefs2="a45 a60" order="S"/>
                  <bond atomRefs2="a46 a73" order="S"/>
                  <bond atomRefs2="a46 a64" order="S"/>
                  <bond atomRefs2="a47 a68" order="S"/>
                  <bond atomRefs2="a48 a51" order="S"/>
                  <bond atomRefs2="a48 a50" order="S"/>
                  <bond atomRefs2="a48 a49" order="S"/>
                  <bond atomRefs2="a52 a55" order="S"/>
                  <bond atomRefs2="a52 a53" order="S"/>
                  <bond atomRefs2="a52 a54" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
                  <bond atomRefs2="a56 a58" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a60 a61" order="S"/>
                  <bond atomRefs2="a60 a62" order="S"/>
                  <bond atomRefs2="a60 a63" order="S"/>
                  <bond atomRefs2="a64 a65" order="S"/>
                  <bond atomRefs2="a64 a67" order="S"/>
                  <bond atomRefs2="a64 a66" order="S"/>
                  <bond atomRefs2="a68 a69" order="S"/>
                  <bond atomRefs2="a68 a71" order="S"/>
                  <bond atomRefs2="a68 a70" order="S"/>
                  <bond atomRefs2="a72 a73" order="S"/>
                  <bond atomRefs2="a72 a75" order="S"/>
                  <bond atomRefs2="a72 a74" order="S"/>
               </bondArray>
               <formula concise="C12H38O19V6">
                  <atomArray count="12 38 19 6" elementType="C H O V"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">753.7660000000005</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/12CH3O.H2O.6O.6V/c12*1-2;;;;;;;;;;;;;/h12*1H3;1H2;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:12,5;16,6;20,7;24,8;28,9;32,10;48,42;52,43;56,44;60,45;64,46;68,47;72;2;4;11;37;39;41;1;3;36;38;40;73/CRV:12*2.1;;;;;;;;;;;;;/rA:75VO1VO1O3O3O3O3O3O3O1CHHHCHHHCHHHCHHHCHHHCHHHVO1VO1VO1O3O3O3O3O3O3CHHHCHHHCHHHCHHHCHHHCHHHO3VHH/rB:s1;;s3;s1;s1s3;s3;s1;s3;s3;;s5;s12;s12;s12;s6;s16;s16;s16;s7;s20;s20;s20;s8;s24;s24;s24;s9;s28;s28;s28;s10;s32;s32;s32;s10;s36;s8s9;s38;;s40;s36s38;s36s40;s38s40;s36;s40;s1s40;s42;s48;s48;s48;s43;s52;s52;s52;s44;s56;s56;s56;s45;s60;s60;s60;s46;s64;s64;s64;s47;s68;s68;s68;;s5s7s11s45s46s72;s72;s72;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="dispersion">
                  <scalar dataType="xsd:string" dictRef="t:correction">disp3</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefined" id="otherComponents">
               <module cmlx:templateRef="symmetry">
                  <scalar dataType="xsd:string" dictRef="t:symmetryGroup">c1</scalar>
                  <list cmlx:templateRef="generators" endLine="120" startLine="120">
                     <scalar dataType="xsd:string" dictRef="t:generators">c1(z)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="basisset">
                  <list cmlx:templateRef="basis">
                     <array dataType="xsd:string" dictRef="cc:atomType" size="4">v o c h</array>
                     <array dataType="xsd:integer" dictRef="t:atoms" size="4">6 19 12 38</array>
                     <array dataType="xsd:integer" dictRef="t:prim" size="4">92 46 46 8</array>
                     <array dataType="xsd:integer" dictRef="t:cont" size="4">45 31 31 6</array>
                     <array dataType="xsd:string" dictRef="t:basis" size="4">def2-TZVP def2-TZVP def2-TZVP def2-TZVP</array>
                     <array dataType="xsd:string" dictRef="t:contraction" size="4">[6s4p4d1f|17s11p7d1f] [5s3p2d1f|11s6p2d1f] [5s3p2d1f|11s6p2d1f] [3s1p|5s1p]</array>
                  </list>
               </module>
               <module cmlx:templateRef="symmetry">
                  <scalar dataType="xsd:string" dictRef="t:symmetryGroup">c1</scalar>
                  <list cmlx:templateRef="generators" endLine="1501" startLine="1501">
                     <scalar dataType="xsd:string" dictRef="t:generators">c1(z)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="symmetry">
                  <scalar dataType="xsd:string" dictRef="t:symmetryGroup">c1</scalar>
                  <list cmlx:templateRef="generators" endLine="2052" startLine="2052">
                     <scalar dataType="xsd:string" dictRef="t:generators">c1(z)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="basisset">
                  <list cmlx:templateRef="basis">
                     <array dataType="xsd:string" dictRef="cc:atomType" size="4">v o c h</array>
                     <array dataType="xsd:integer" dictRef="t:atoms" size="4">6 19 12 38</array>
                     <array dataType="xsd:integer" dictRef="t:prim" size="4">92 46 46 8</array>
                     <array dataType="xsd:integer" dictRef="t:cont" size="4">45 31 31 6</array>
                     <array dataType="xsd:string" dictRef="t:basis" size="4">def2-TZVP def2-TZVP def2-TZVP def2-TZVP</array>
                     <array dataType="xsd:string" dictRef="t:contraction" size="4">[6s4p4d1f|17s11p7d1f] [5s3p2d1f|11s6p2d1f] [5s3p2d1f|11s6p2d1f] [3s1p|5s1p]</array>
                  </list>
               </module>
               <module cmlx:templateRef="symmetry">
                  <scalar dataType="xsd:string" dictRef="t:symmetryGroup">c1</scalar>
                  <list cmlx:templateRef="generators" endLine="3433" startLine="3433">
                     <scalar dataType="xsd:string" dictRef="t:generators">c1(z)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="module" id="rdgrad">
                  <module cmlx:templateRef="program">
                     <list cmlx:templateRef="prog">
                        <scalar dataType="xsd:string" dictRef="t:module">rdgrad</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:hostname">node075.lawrence</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:program">TURBOMOLE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:programDate">9 Jul 2018 at 10:31:25</scalar>
                        <scalar dataType="xsd:string"
                                dictRef="cc:programVersion"
                                id="programVersion">7.3</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="title">
                     <scalar dataType="xsd:string" dictRef="cc:title">Local memory allocated for RDGRAD: 8 MiB</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="module" id="statpt">
                  <module cmlx:templateRef="program">
                     <list cmlx:templateRef="prog">
                        <scalar dataType="xsd:string" dictRef="t:module">statpt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:hostname">node075.lawrence</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:program">TURBOMOLE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:programDate">1 Jul 2018 at 20:38:15</scalar>
                        <scalar dataType="xsd:string"
                                dictRef="cc:programVersion"
                                id="programVersion">7.3</scalar>
                     </list>
                     <scalar dataType="xsd:date" dictRef="cc:date">2024-02-07T15:56:33.210</scalar>
                  </module>
                  <module cmlx:templateRef="atomcoord">
                     <molecule id="atomcoord">
                        <atomArray>
                           <atom elementType="V"
                                 id="a1"
                                 x3="0.94785495"
                                 y3="-2.12870712"
                                 z3="0.34852334"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.52188351"
                                 y3="-3.58965576"
                                 z3="0.5308343"/>
                           <atom elementType="V"
                                 id="a3"
                                 x3="0.94095721"
                                 y3="0.0931165"
                                 z3="-2.10536867"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="1.55544355"
                                 y3="0.14208034"
                                 z3="-3.56234411"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-0.85775028"
                                 y3="-2.5982857"
                                 z3="-0.47809223"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="1.54417716"
                                 y3="-1.72531819"
                                 z3="-1.52538763"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-0.86026748"
                                 y3="-0.77239334"
                                 z3="-2.55832598"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="2.36704654"
                                 y3="-0.96439505"
                                 z3="1.08585365"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.42086326"
                                 y3="0.84812087"
                                 z3="-1.00554601"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="0.0106564"
                                 y3="1.87655867"
                                 z3="-2.02898365"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.05239949"
                                 y3="-0.03097718"
                                 z3="-0.01275075"/>
                           <atom elementType="C"
                                 id="a12"
                                 x3="-1.32936484"
                                 y3="-3.90890581"
                                 z3="-0.50910488"/>
                           <atom elementType="H"
                                 id="a13"
                                 x3="-2.40348228"
                                 y3="-3.93373541"
                                 z3="-0.73388407"/>
                           <atom elementType="H"
                                 id="a14"
                                 x3="-1.16965644"
                                 y3="-4.40043541"
                                 z3="0.45570669"/>
                           <atom elementType="H"
                                 id="a15"
                                 x3="-0.7957923"
                                 y3="-4.49072459"
                                 z3="-1.2711417"/>
                           <atom elementType="C"
                                 id="a16"
                                 x3="2.79787721"
                                 y3="-2.13950472"
                                 z3="-1.99600396"/>
                           <atom elementType="H"
                                 id="a17"
                                 x3="2.75213195"
                                 y3="-2.27570883"
                                 z3="-3.082949"/>
                           <atom elementType="H"
                                 id="a18"
                                 x3="3.08003645"
                                 y3="-3.08499266"
                                 z3="-1.52138839"/>
                           <atom elementType="H"
                                 id="a19"
                                 x3="3.57110683"
                                 y3="-1.39321803"
                                 z3="-1.78586153"/>
                           <atom elementType="C"
                                 id="a20"
                                 x3="-0.7763382"
                                 y3="-1.85861056"
                                 z3="-3.42671736"/>
                           <atom elementType="H"
                                 id="a21"
                                 x3="-0.2493634"
                                 y3="-1.56785164"
                                 z3="-4.34135822"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.77989128"
                                 y3="-2.2109749"
                                 z3="-3.73490116"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-0.24443892"
                                 y3="-2.69677402"
                                 z3="-2.96484754"/>
                           <atom elementType="C"
                                 id="a24"
                                 x3="3.7279071"
                                 y3="-1.29796105"
                                 z3="1.07197315"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="4.20675604"
                                 y3="-0.90579799"
                                 z3="1.97609612"/>
                           <atom elementType="H"
                                 id="a26"
                                 x3="4.23889923"
                                 y3="-0.86114648"
                                 z3="0.20710732"/>
                           <atom elementType="H"
                                 id="a27"
                                 x3="3.8459693"
                                 y3="-2.38586538"
                                 z3="1.04099404"/>
                           <atom elementType="C"
                                 id="a28"
                                 x3="3.21075544"
                                 y3="1.83265062"
                                 z3="-1.61892907"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="3.89981102"
                                 y3="2.26539461"
                                 z3="-0.88660079"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="2.59665989"
                                 y3="2.63280345"
                                 z3="-2.04491918"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="3.7847342"
                                 y3="1.38025065"
                                 z3="-2.43602287"/>
                           <atom elementType="C"
                                 id="a32"
                                 x3="-0.6831546"
                                 y3="2.25488665"
                                 z3="-3.18899828"/>
                           <atom elementType="H"
                                 id="a33"
                                 x3="-1.09244708"
                                 y3="3.26284406"
                                 z3="-3.060368"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="-1.5082957"
                                 y3="1.56441679"
                                 z3="-3.40071095"/>
                           <atom elementType="H"
                                 id="a35"
                                 x3="0.00092643"
                                 y3="2.24070219"
                                 z3="-4.04426984"/>
                           <atom elementType="V"
                                 id="a36"
                                 x3="-0.94746807"
                                 y3="2.12393747"
                                 z3="-0.28177196"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-1.6231151"
                                 y3="3.53827452"
                                 z3="-0.48886833"/>
                           <atom elementType="V"
                                 id="a38"
                                 x3="1.90142971"
                                 y3="0.98242711"
                                 z3="0.93598686"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.19594436"
                                 y3="1.62892352"
                                 z3="1.56257582"/>
                           <atom elementType="V"
                                 id="a40"
                                 x3="-0.96836064"
                                 y3="-0.10552362"
                                 z3="2.18759147"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-1.63860643"
                                 y3="-0.20635175"
                                 z3="3.61441132"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="0.79507431"
                                 y3="2.60109979"
                                 z3="0.52821201"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-1.62217745"
                                 y3="1.67622431"
                                 z3="1.55218113"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="0.76652961"
                                 y3="0.77068922"
                                 z3="2.57370326"/>
                           <atom elementType="O"
                                 id="a45"
                                 x3="-2.41530243"
                                 y3="0.93043278"
                                 z3="-1.03676068"/>
                           <atom elementType="O"
                                 id="a46"
                                 x3="-2.45110875"
                                 y3="-0.92228992"
                                 z3="1.04895242"/>
                           <atom elementType="O"
                                 id="a47"
                                 x3="-0.00901971"
                                 y3="-1.86553974"
                                 z3="2.09082533"/>
                           <atom elementType="C"
                                 id="a48"
                                 x3="1.34070677"
                                 y3="3.85070066"
                                 z3="0.2053058"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="2.35514097"
                                 y3="3.92838324"
                                 z3="0.60848194"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="1.3761808"
                                 y3="4.00467703"
                                 z3="-0.87874476"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="0.71753678"
                                 y3="4.64251446"
                                 z3="0.63674716"/>
                           <atom elementType="C"
                                 id="a52"
                                 x3="-2.94613295"
                                 y3="1.99774537"
                                 z3="1.87961683"/>
                           <atom elementType="H"
                                 id="a53"
                                 x3="-3.06292304"
                                 y3="1.99537749"
                                 z3="2.9688395"/>
                           <atom elementType="H"
                                 id="a54"
                                 x3="-3.19400337"
                                 y3="2.9897908"
                                 z3="1.48716609"/>
                           <atom elementType="H"
                                 id="a55"
                                 x3="-3.64979798"
                                 y3="1.26524858"
                                 z3="1.46592283"/>
                           <atom elementType="C"
                                 id="a56"
                                 x3="0.72173871"
                                 y3="1.87455058"
                                 z3="3.44656023"/>
                           <atom elementType="H"
                                 id="a57"
                                 x3="0.21133535"
                                 y3="1.5830125"
                                 z3="4.37060894"/>
                           <atom elementType="H"
                                 id="a58"
                                 x3="1.74365593"
                                 y3="2.19396784"
                                 z3="3.67522233"/>
                           <atom elementType="H"
                                 id="a59"
                                 x3="0.18138477"
                                 y3="2.710907"
                                 z3="2.99313114"/>
                           <atom elementType="C"
                                 id="a60"
                                 x3="-3.69813489"
                                 y3="1.32696161"
                                 z3="-1.37517232"/>
                           <atom elementType="H"
                                 id="a61"
                                 x3="-3.9223687"
                                 y3="1.08900356"
                                 z3="-2.43076627"/>
                           <atom elementType="H"
                                 id="a62"
                                 x3="-4.45448854"
                                 y3="0.84817284"
                                 z3="-0.73176515"/>
                           <atom elementType="H"
                                 id="a63"
                                 x3="-3.81005846"
                                 y3="2.4095527"
                                 z3="-1.26217877"/>
                           <atom elementType="C"
                                 id="a64"
                                 x3="-3.11044531"
                                 y3="-2.03269411"
                                 z3="1.59180184"/>
                           <atom elementType="H"
                                 id="a65"
                                 x3="-3.79113355"
                                 y3="-2.47531837"
                                 z3="0.85417331"/>
                           <atom elementType="H"
                                 id="a66"
                                 x3="-2.38856693"
                                 y3="-2.792862"
                                 z3="1.90716671"/>
                           <atom elementType="H"
                                 id="a67"
                                 x3="-3.6861599"
                                 y3="-1.72133403"
                                 z3="2.46967806"/>
                           <atom elementType="C"
                                 id="a68"
                                 x3="0.7117661"
                                 y3="-2.21929007"
                                 z3="3.24829207"/>
                           <atom elementType="H"
                                 id="a69"
                                 x3="1.12435166"
                                 y3="-3.22648875"
                                 z3="3.12580302"/>
                           <atom elementType="H"
                                 id="a70"
                                 x3="1.53354163"
                                 y3="-1.51884352"
                                 z3="3.42474727"/>
                           <atom elementType="H"
                                 id="a71"
                                 x3="0.03955887"
                                 y3="-2.19836552"
                                 z3="4.11263367"/>
                           <atom elementType="O"
                                 id="a72"
                                 x3="-3.50527021"
                                 y3="-1.74801813"
                                 z3="-1.69739012"/>
                           <atom elementType="V"
                                 id="a73"
                                 x3="-1.70560003"
                                 y3="-0.87978812"
                                 z3="-0.75638923"/>
                           <atom elementType="H"
                                 id="a74"
                                 x3="-4.07286344"
                                 y3="-1.00498767"
                                 z3="-1.93429683"/>
                           <atom elementType="H"
                                 id="a75"
                                 x3="-3.18970634"
                                 y3="-2.11779523"
                                 z3="-2.53149544"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a1 a6" order="S"/>
                           <bond atomRefs2="a1 a47" order="S"/>
                           <bond atomRefs2="a1 a8" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a3 a7" order="S"/>
                           <bond atomRefs2="a3 a10" order="S"/>
                           <bond atomRefs2="a3 a6" order="S"/>
                           <bond atomRefs2="a3 a9" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a5 a73" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a6 a16" order="S"/>
                           <bond atomRefs2="a7 a73" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a8 a38" order="S"/>
                           <bond atomRefs2="a8 a24" order="S"/>
                           <bond atomRefs2="a9 a38" order="S"/>
                           <bond atomRefs2="a9 a28" order="S"/>
                           <bond atomRefs2="a10 a36" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a11 a73" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a15" order="S"/>
                           <bond atomRefs2="a12 a14" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a19" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a20 a22" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a23" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a24 a26" order="S"/>
                           <bond atomRefs2="a24 a27" order="S"/>
                           <bond atomRefs2="a28 a31" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a32 a34" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                           <bond atomRefs2="a32 a35" order="S"/>
                           <bond atomRefs2="a36 a45" order="S"/>
                           <bond atomRefs2="a36 a43" order="S"/>
                           <bond atomRefs2="a36 a42" order="S"/>
                           <bond atomRefs2="a36 a37" order="S"/>
                           <bond atomRefs2="a38 a44" order="S"/>
                           <bond atomRefs2="a38 a42" order="S"/>
                           <bond atomRefs2="a38 a39" order="S"/>
                           <bond atomRefs2="a40 a46" order="S"/>
                           <bond atomRefs2="a40 a47" order="S"/>
                           <bond atomRefs2="a40 a43" order="S"/>
                           <bond atomRefs2="a40 a44" order="S"/>
                           <bond atomRefs2="a40 a41" order="S"/>
                           <bond atomRefs2="a42 a48" order="S"/>
                           <bond atomRefs2="a43 a52" order="S"/>
                           <bond atomRefs2="a44 a56" order="S"/>
                           <bond atomRefs2="a45 a73" order="S"/>
                           <bond atomRefs2="a45 a60" order="S"/>
                           <bond atomRefs2="a46 a73" order="S"/>
                           <bond atomRefs2="a46 a64" order="S"/>
                           <bond atomRefs2="a47 a68" order="S"/>
                           <bond atomRefs2="a48 a51" order="S"/>
                           <bond atomRefs2="a48 a50" order="S"/>
                           <bond atomRefs2="a48 a49" order="S"/>
                           <bond atomRefs2="a52 a55" order="S"/>
                           <bond atomRefs2="a52 a53" order="S"/>
                           <bond atomRefs2="a52 a54" order="S"/>
                           <bond atomRefs2="a56 a57" order="S"/>
                           <bond atomRefs2="a56 a58" order="S"/>
                           <bond atomRefs2="a56 a59" order="S"/>
                           <bond atomRefs2="a60 a61" order="S"/>
                           <bond atomRefs2="a60 a62" order="S"/>
                           <bond atomRefs2="a60 a63" order="S"/>
                           <bond atomRefs2="a64 a65" order="S"/>
                           <bond atomRefs2="a64 a67" order="S"/>
                           <bond atomRefs2="a64 a66" order="S"/>
                           <bond atomRefs2="a68 a69" order="S"/>
                           <bond atomRefs2="a68 a71" order="S"/>
                           <bond atomRefs2="a68 a70" order="S"/>
                           <bond atomRefs2="a72 a73" order="S"/>
                           <bond atomRefs2="a72 a75" order="S"/>
                           <bond atomRefs2="a72 a74" order="S"/>
                        </bondArray>
                        <formula concise="C12H38O19V6">
                           <atomArray count="12 38 19 6" elementType="C H O V"/>
                        </formula>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">753.7660000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/12CH3O.H2O.6O.6V/c12*1-2;;;;;;;;;;;;;/h12*1H3;1H2;;;;;;;;;;;;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:12,5;16,6;20,7;24,8;28,9;32,10;48,42;52,43;56,44;60,45;64,46;68,47;72;2;4;11;37;39;41;1;3;36;38;40;73/CRV:12*2.1;;;;;;;;;;;;;/rA:75VO1VO1O3O3O3O3O3O3O1CHHHCHHHCHHHCHHHCHHHCHHHVO1VO1VO1O3O3O3O3O3O3CHHHCHHHCHHHCHHHCHHHCHHHO3VHH/rB:s1;;s3;s1;s1s3;s3;s1;s3;s3;;s5;s12;s12;s12;s6;s16;s16;s16;s7;s20;s20;s20;s8;s24;s24;s24;s9;s28;s28;s28;s10;s32;s32;s32;s10;s36;s8s9;s38;;s40;s36s38;s36s40;s38s40;s36;s40;s1s40;s42;s48;s48;s48;s43;s52;s52;s52;s44;s56;s56;s56;s45;s60;s60;s60;s46;s64;s64;s64;s47;s68;s68;s68;;s5s7s11s45s46s72;s72;s72;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                     <list cmlx:templateRef="centnuclmass">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.03047969</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.02468478</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.01051458</scalar>
                     </list>
                     <list cmlx:templateRef="centnuclcharge">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.04903427</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.03540385</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.01050948</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="module" id="ridft">
                  <module cmlx:templateRef="program">
                     <list cmlx:templateRef="prog">
                        <scalar dataType="xsd:string" dictRef="t:module">ridft</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:hostname">node075.lawrence</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:program">TURBOMOLE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:programDate">9 Jul 2018 at 10:31:25</scalar>
                        <scalar dataType="xsd:string"
                                dictRef="cc:programVersion"
                                id="programVersion">7.3</scalar>
                     </list>
                     <scalar dataType="xsd:date" dictRef="cc:date">2024-02-07T15:56:35.197</scalar>
                  </module>
                  <module cmlx:templateRef="atomcoord">
                     <molecule id="atomcoord">
                        <atomArray>
                           <atom elementType="V"
                                 id="a1"
                                 x3="0.94783799"
                                 y3="-2.12870655"
                                 z3="0.34851892"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.52185599"
                                 y3="-3.5896605"
                                 z3="0.5308264"/>
                           <atom elementType="V"
                                 id="a3"
                                 x3="0.94096162"
                                 y3="0.093113"
                                 z3="-2.10537738"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="1.55547343"
                                 y3="0.14202186"
                                 z3="-3.56234474"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-0.85777293"
                                 y3="-2.59830161"
                                 z3="-0.47810795"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="1.54418569"
                                 y3="-1.72530791"
                                 z3="-1.52538584"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-0.86025827"
                                 y3="-0.7724061"
                                 z3="-2.55836142"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="2.3670291"
                                 y3="-0.96440685"
                                 z3="1.08587335"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.42086077"
                                 y3="0.84810996"
                                 z3="-1.00553704"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="0.01065846"
                                 y3="1.87656173"
                                 z3="-2.02898595"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.05240509"
                                 y3="-0.0309883"
                                 z3="-0.01275159"/>
                           <atom elementType="C"
                                 id="a12"
                                 x3="-1.3293863"
                                 y3="-3.90892745"
                                 z3="-0.50902853"/>
                           <atom elementType="H"
                                 id="a13"
                                 x3="-2.40356948"
                                 y3="-3.93378606"
                                 z3="-0.73362162"/>
                           <atom elementType="H"
                                 id="a14"
                                 x3="-1.1694906"
                                 y3="-4.40045298"
                                 z3="0.45576653"/>
                           <atom elementType="H"
                                 id="a15"
                                 x3="-0.79596437"
                                 y3="-4.49071589"
                                 z3="-1.27112503"/>
                           <atom elementType="C"
                                 id="a16"
                                 x3="2.797896"
                                 y3="-2.13950328"
                                 z3="-1.99596856"/>
                           <atom elementType="H"
                                 id="a17"
                                 x3="2.75216683"
                                 y3="-2.27576726"
                                 z3="-3.08290686"/>
                           <atom elementType="H"
                                 id="a18"
                                 x3="3.0800575"
                                 y3="-3.08496042"
                                 z3="-1.52129313"/>
                           <atom elementType="H"
                                 id="a19"
                                 x3="3.57111552"
                                 y3="-1.39319793"
                                 z3="-1.78586045"/>
                           <atom elementType="C"
                                 id="a20"
                                 x3="-0.77625575"
                                 y3="-1.85863052"
                                 z3="-3.4267461"/>
                           <atom elementType="H"
                                 id="a21"
                                 x3="-0.24921797"
                                 y3="-1.56785959"
                                 z3="-4.34135115"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.77978298"
                                 y3="-2.21100339"
                                 z3="-3.73500261"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-0.24436913"
                                 y3="-2.69679149"
                                 z3="-2.96483473"/>
                           <atom elementType="C"
                                 id="a24"
                                 x3="3.72789605"
                                 y3="-1.29794716"
                                 z3="1.07192175"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="4.20679457"
                                 y3="-0.90572198"
                                 z3="1.97599124"/>
                           <atom elementType="H"
                                 id="a26"
                                 x3="4.23882183"
                                 y3="-0.8611691"
                                 z3="0.20699979"/>
                           <atom elementType="H"
                                 id="a27"
                                 x3="3.84597876"
                                 y3="-2.38585108"
                                 z3="1.04099586"/>
                           <atom elementType="C"
                                 id="a28"
                                 x3="3.21078158"
                                 y3="1.83263269"
                                 z3="-1.61889354"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="3.89980301"
                                 y3="2.26538116"
                                 z3="-0.88653614"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="2.59670809"
                                 y3="2.63278528"
                                 z3="-2.04491547"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="3.78480077"
                                 y3="1.38023067"
                                 z3="-2.43595811"/>
                           <atom elementType="C"
                                 id="a32"
                                 x3="-0.68321447"
                                 y3="2.25494901"
                                 z3="-3.18894573"/>
                           <atom elementType="H"
                                 id="a33"
                                 x3="-1.09244315"
                                 y3="3.26292362"
                                 z3="-3.06024508"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="-1.50841186"
                                 y3="1.56453134"
                                 z3="-3.40060946"/>
                           <atom elementType="H"
                                 id="a35"
                                 x3="0.0007958"
                                 y3="2.2407576"
                                 z3="-4.0442736"/>
                           <atom elementType="V"
                                 id="a36"
                                 x3="-0.9474635"
                                 y3="2.12393058"
                                 z3="-0.28178"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-1.62310909"
                                 y3="3.53825952"
                                 z3="-0.48894627"/>
                           <atom elementType="V"
                                 id="a38"
                                 x3="1.90142471"
                                 y3="0.98242128"
                                 z3="0.93599796"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.1959202"
                                 y3="1.62891881"
                                 z3="1.56262687"/>
                           <atom elementType="V"
                                 id="a40"
                                 x3="-0.96837268"
                                 y3="-0.10552472"
                                 z3="2.18755792"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-1.63861992"
                                 y3="-0.20642661"
                                 z3="3.61437354"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="0.79507936"
                                 y3="2.60109673"
                                 z3="0.52819983"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-1.62218269"
                                 y3="1.67622557"
                                 z3="1.5521913"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="0.76650608"
                                 y3="0.7707033"
                                 z3="2.57370135"/>
                           <atom elementType="O"
                                 id="a45"
                                 x3="-2.41529303"
                                 y3="0.93043181"
                                 z3="-1.03678428"/>
                           <atom elementType="O"
                                 id="a46"
                                 x3="-2.45112574"
                                 y3="-0.92227899"
                                 z3="1.04891317"/>
                           <atom elementType="O"
                                 id="a47"
                                 x3="-0.00902248"
                                 y3="-1.86554991"
                                 z3="2.09080603"/>
                           <atom elementType="C"
                                 id="a48"
                                 x3="1.34072336"
                                 y3="3.85068485"
                                 z3="0.20526093"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="2.35515086"
                                 y3="3.92837832"
                                 z3="0.60845185"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="1.37621373"
                                 y3="4.00462446"
                                 z3="-0.87879399"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="0.71754968"
                                 y3="4.64251501"
                                 z3="0.63666718"/>
                           <atom elementType="C"
                                 id="a52"
                                 x3="-2.94611672"
                                 y3="1.99777145"
                                 z3="1.87968659"/>
                           <atom elementType="H"
                                 id="a53"
                                 x3="-3.06283788"
                                 y3="1.9954515"
                                 z3="2.96891726"/>
                           <atom elementType="H"
                                 id="a54"
                                 x3="-3.19400721"
                                 y3="2.98980229"
                                 z3="1.4872125"/>
                           <atom elementType="H"
                                 id="a55"
                                 x3="-3.64981201"
                                 y3="1.26526082"
                                 z3="1.46606943"/>
                           <atom elementType="C"
                                 id="a56"
                                 x3="0.72169487"
                                 y3="1.87458503"
                                 z3="3.44653359"/>
                           <atom elementType="H"
                                 id="a57"
                                 x3="0.21127552"
                                 y3="1.58306439"
                                 z3="4.37057949"/>
                           <atom elementType="H"
                                 id="a58"
                                 x3="1.74360491"
                                 y3="2.19401299"
                                 z3="3.67521104"/>
                           <atom elementType="H"
                                 id="a59"
                                 x3="0.18134688"
                                 y3="2.710928"
                                 z3="2.99307525"/>
                           <atom elementType="C"
                                 id="a60"
                                 x3="-3.69815225"
                                 y3="1.32694478"
                                 z3="-1.3750954"/>
                           <atom elementType="H"
                                 id="a61"
                                 x3="-3.92250726"
                                 y3="1.08888084"
                                 z3="-2.43064112"/>
                           <atom elementType="H"
                                 id="a62"
                                 x3="-4.45444331"
                                 y3="0.84823858"
                                 z3="-0.7315543"/>
                           <atom elementType="H"
                                 id="a63"
                                 x3="-3.81003124"
                                 y3="2.40955351"
                                 z3="-1.26223406"/>
                           <atom elementType="C"
                                 id="a64"
                                 x3="-3.11051431"
                                 y3="-2.0326638"
                                 z3="1.59173554"/>
                           <atom elementType="H"
                                 id="a65"
                                 x3="-3.79120242"
                                 y3="-2.47525009"
                                 z3="0.85408239"/>
                           <atom elementType="H"
                                 id="a66"
                                 x3="-2.38867519"
                                 y3="-2.79286702"
                                 z3="1.90710693"/>
                           <atom elementType="H"
                                 id="a67"
                                 x3="-3.68624063"
                                 y3="-1.72129606"
                                 z3="2.46960203"/>
                           <atom elementType="C"
                                 id="a68"
                                 x3="0.71180068"
                                 y3="-2.21932586"
                                 z3="3.24824289"/>
                           <atom elementType="H"
                                 id="a69"
                                 x3="1.1243718"
                                 y3="-3.2265254"
                                 z3="3.12571113"/>
                           <atom elementType="H"
                                 id="a70"
                                 x3="1.53359172"
                                 y3="-1.51889273"
                                 z3="3.42467649"/>
                           <atom elementType="H"
                                 id="a71"
                                 x3="0.03962961"
                                 y3="-2.19841276"
                                 z3="4.11261228"/>
                           <atom elementType="O"
                                 id="a72"
                                 x3="-3.50519599"
                                 y3="-1.74796662"
                                 z3="-1.69746349"/>
                           <atom elementType="V"
                                 id="a73"
                                 x3="-1.70560653"
                                 y3="-0.87980005"
                                 z3="-0.75642434"/>
                           <atom elementType="H"
                                 id="a74"
                                 x3="-4.07278611"
                                 y3="-1.00493267"
                                 z3="-1.93447158"/>
                           <atom elementType="H"
                                 id="a75"
                                 x3="-3.18962727"
                                 y3="-2.1179356"
                                 z3="-2.53148866"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a1 a6" order="S"/>
                           <bond atomRefs2="a1 a47" order="S"/>
                           <bond atomRefs2="a1 a8" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a3 a7" order="S"/>
                           <bond atomRefs2="a3 a10" order="S"/>
                           <bond atomRefs2="a3 a6" order="S"/>
                           <bond atomRefs2="a3 a9" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a5 a73" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a6 a16" order="S"/>
                           <bond atomRefs2="a7 a73" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a8 a38" order="S"/>
                           <bond atomRefs2="a8 a24" order="S"/>
                           <bond atomRefs2="a9 a38" order="S"/>
                           <bond atomRefs2="a9 a28" order="S"/>
                           <bond atomRefs2="a10 a36" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a11 a73" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a15" order="S"/>
                           <bond atomRefs2="a12 a14" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a19" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a20 a22" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a23" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a24 a26" order="S"/>
                           <bond atomRefs2="a24 a27" order="S"/>
                           <bond atomRefs2="a28 a31" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a32 a34" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                           <bond atomRefs2="a32 a35" order="S"/>
                           <bond atomRefs2="a36 a45" order="S"/>
                           <bond atomRefs2="a36 a43" order="S"/>
                           <bond atomRefs2="a36 a42" order="S"/>
                           <bond atomRefs2="a36 a37" order="S"/>
                           <bond atomRefs2="a38 a44" order="S"/>
                           <bond atomRefs2="a38 a42" order="S"/>
                           <bond atomRefs2="a38 a39" order="S"/>
                           <bond atomRefs2="a40 a46" order="S"/>
                           <bond atomRefs2="a40 a47" order="S"/>
                           <bond atomRefs2="a40 a43" order="S"/>
                           <bond atomRefs2="a40 a44" order="S"/>
                           <bond atomRefs2="a40 a41" order="S"/>
                           <bond atomRefs2="a42 a48" order="S"/>
                           <bond atomRefs2="a43 a52" order="S"/>
                           <bond atomRefs2="a44 a56" order="S"/>
                           <bond atomRefs2="a45 a73" order="S"/>
                           <bond atomRefs2="a45 a60" order="S"/>
                           <bond atomRefs2="a46 a73" order="S"/>
                           <bond atomRefs2="a46 a64" order="S"/>
                           <bond atomRefs2="a47 a68" order="S"/>
                           <bond atomRefs2="a48 a51" order="S"/>
                           <bond atomRefs2="a48 a50" order="S"/>
                           <bond atomRefs2="a48 a49" order="S"/>
                           <bond atomRefs2="a52 a55" order="S"/>
                           <bond atomRefs2="a52 a53" order="S"/>
                           <bond atomRefs2="a52 a54" order="S"/>
                           <bond atomRefs2="a56 a57" order="S"/>
                           <bond atomRefs2="a56 a58" order="S"/>
                           <bond atomRefs2="a56 a59" order="S"/>
                           <bond atomRefs2="a60 a61" order="S"/>
                           <bond atomRefs2="a60 a62" order="S"/>
                           <bond atomRefs2="a60 a63" order="S"/>
                           <bond atomRefs2="a64 a65" order="S"/>
                           <bond atomRefs2="a64 a67" order="S"/>
                           <bond atomRefs2="a64 a66" order="S"/>
                           <bond atomRefs2="a68 a69" order="S"/>
                           <bond atomRefs2="a68 a71" order="S"/>
                           <bond atomRefs2="a68 a70" order="S"/>
                           <bond atomRefs2="a72 a73" order="S"/>
                           <bond atomRefs2="a72 a75" order="S"/>
                           <bond atomRefs2="a72 a74" order="S"/>
                        </bondArray>
                        <formula concise="C12H38O19V6">
                           <atomArray count="12 38 19 6" elementType="C H O V"/>
                        </formula>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">753.7660000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/12CH3O.H2O.6O.6V/c12*1-2;;;;;;;;;;;;;/h12*1H3;1H2;;;;;;;;;;;;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:12,5;16,6;20,7;24,8;28,9;32,10;48,42;52,43;56,44;60,45;64,46;68,47;72;2;4;11;37;39;41;1;3;36;38;40;73/CRV:12*2.1;;;;;;;;;;;;;/rA:75VO1VO1O3O3O3O3O3O3O1CHHHCHHHCHHHCHHHCHHHCHHHVO1VO1VO1O3O3O3O3O3O3CHHHCHHHCHHHCHHHCHHHCHHHO3VHH/rB:s1;;s3;s1;s1s3;s3;s1;s3;s3;;s5;s12;s12;s12;s6;s16;s16;s16;s7;s20;s20;s20;s8;s24;s24;s24;s9;s28;s28;s28;s10;s32;s32;s32;s10;s36;s8s9;s38;;s40;s36s38;s36s40;s38s40;s36;s40;s1s40;s42;s48;s48;s48;s43;s52;s52;s52;s44;s56;s56;s56;s45;s60;s60;s60;s46;s64;s64;s64;s47;s68;s68;s68;;s5s7s11s45s46s72;s72;s72;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                     <list cmlx:templateRef="centnuclmass">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.03048480</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.02469226</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.01049811</scalar>
                     </list>
                     <list cmlx:templateRef="centnuclcharge">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.04903878</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.03541061</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.01052427</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="module" id="rdgrad">
                  <module cmlx:templateRef="program">
                     <list cmlx:templateRef="prog">
                        <scalar dataType="xsd:string" dictRef="t:module">rdgrad</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:hostname">node075.lawrence</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:program">TURBOMOLE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:programDate">9 Jul 2018 at 10:31:25</scalar>
                        <scalar dataType="xsd:string"
                                dictRef="cc:programVersion"
                                id="programVersion">7.3</scalar>
                     </list>
                     <scalar dataType="xsd:date" dictRef="cc:date">2024-02-07T15:54:28.633</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="module" id="statpt">
                  <module cmlx:templateRef="program">
                     <list cmlx:templateRef="prog">
                        <scalar dataType="xsd:string" dictRef="t:module">statpt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:hostname">node075.lawrence</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:program">TURBOMOLE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:programDate">1 Jul 2018 at 20:38:15</scalar>
                        <scalar dataType="xsd:string"
                                dictRef="cc:programVersion"
                                id="programVersion">7.3</scalar>
                     </list>
                     <scalar dataType="xsd:date" dictRef="cc:date">2024-02-07T15:56:33.210</scalar>
                  </module>
                  <module cmlx:templateRef="atomcoord">
                     <molecule id="atomcoord">
                        <atomArray>
                           <atom elementType="V"
                                 id="a1"
                                 x3="0.94785495"
                                 y3="-2.12870712"
                                 z3="0.34852334"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.52188351"
                                 y3="-3.58965576"
                                 z3="0.5308343"/>
                           <atom elementType="V"
                                 id="a3"
                                 x3="0.94095721"
                                 y3="0.0931165"
                                 z3="-2.10536867"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="1.55544355"
                                 y3="0.14208034"
                                 z3="-3.56234411"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-0.85775028"
                                 y3="-2.5982857"
                                 z3="-0.47809223"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="1.54417716"
                                 y3="-1.72531819"
                                 z3="-1.52538763"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-0.86026748"
                                 y3="-0.77239334"
                                 z3="-2.55832598"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="2.36704654"
                                 y3="-0.96439505"
                                 z3="1.08585365"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.42086326"
                                 y3="0.84812087"
                                 z3="-1.00554601"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="0.0106564"
                                 y3="1.87655867"
                                 z3="-2.02898365"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.05239949"
                                 y3="-0.03097718"
                                 z3="-0.01275075"/>
                           <atom elementType="C"
                                 id="a12"
                                 x3="-1.32936484"
                                 y3="-3.90890581"
                                 z3="-0.50910488"/>
                           <atom elementType="H"
                                 id="a13"
                                 x3="-2.40348228"
                                 y3="-3.93373541"
                                 z3="-0.73388407"/>
                           <atom elementType="H"
                                 id="a14"
                                 x3="-1.16965644"
                                 y3="-4.40043541"
                                 z3="0.45570669"/>
                           <atom elementType="H"
                                 id="a15"
                                 x3="-0.7957923"
                                 y3="-4.49072459"
                                 z3="-1.2711417"/>
                           <atom elementType="C"
                                 id="a16"
                                 x3="2.79787721"
                                 y3="-2.13950472"
                                 z3="-1.99600396"/>
                           <atom elementType="H"
                                 id="a17"
                                 x3="2.75213195"
                                 y3="-2.27570883"
                                 z3="-3.082949"/>
                           <atom elementType="H"
                                 id="a18"
                                 x3="3.08003645"
                                 y3="-3.08499266"
                                 z3="-1.52138839"/>
                           <atom elementType="H"
                                 id="a19"
                                 x3="3.57110683"
                                 y3="-1.39321803"
                                 z3="-1.78586153"/>
                           <atom elementType="C"
                                 id="a20"
                                 x3="-0.7763382"
                                 y3="-1.85861056"
                                 z3="-3.42671736"/>
                           <atom elementType="H"
                                 id="a21"
                                 x3="-0.2493634"
                                 y3="-1.56785164"
                                 z3="-4.34135822"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.77989128"
                                 y3="-2.2109749"
                                 z3="-3.73490116"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-0.24443892"
                                 y3="-2.69677402"
                                 z3="-2.96484754"/>
                           <atom elementType="C"
                                 id="a24"
                                 x3="3.7279071"
                                 y3="-1.29796105"
                                 z3="1.07197315"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="4.20675604"
                                 y3="-0.90579799"
                                 z3="1.97609612"/>
                           <atom elementType="H"
                                 id="a26"
                                 x3="4.23889923"
                                 y3="-0.86114648"
                                 z3="0.20710732"/>
                           <atom elementType="H"
                                 id="a27"
                                 x3="3.8459693"
                                 y3="-2.38586538"
                                 z3="1.04099404"/>
                           <atom elementType="C"
                                 id="a28"
                                 x3="3.21075544"
                                 y3="1.83265062"
                                 z3="-1.61892907"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="3.89981102"
                                 y3="2.26539461"
                                 z3="-0.88660079"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="2.59665989"
                                 y3="2.63280345"
                                 z3="-2.04491918"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="3.7847342"
                                 y3="1.38025065"
                                 z3="-2.43602287"/>
                           <atom elementType="C"
                                 id="a32"
                                 x3="-0.6831546"
                                 y3="2.25488665"
                                 z3="-3.18899828"/>
                           <atom elementType="H"
                                 id="a33"
                                 x3="-1.09244708"
                                 y3="3.26284406"
                                 z3="-3.060368"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="-1.5082957"
                                 y3="1.56441679"
                                 z3="-3.40071095"/>
                           <atom elementType="H"
                                 id="a35"
                                 x3="0.00092643"
                                 y3="2.24070219"
                                 z3="-4.04426984"/>
                           <atom elementType="V"
                                 id="a36"
                                 x3="-0.94746807"
                                 y3="2.12393747"
                                 z3="-0.28177196"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-1.6231151"
                                 y3="3.53827452"
                                 z3="-0.48886833"/>
                           <atom elementType="V"
                                 id="a38"
                                 x3="1.90142971"
                                 y3="0.98242711"
                                 z3="0.93598686"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.19594436"
                                 y3="1.62892352"
                                 z3="1.56257582"/>
                           <atom elementType="V"
                                 id="a40"
                                 x3="-0.96836064"
                                 y3="-0.10552362"
                                 z3="2.18759147"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-1.63860643"
                                 y3="-0.20635175"
                                 z3="3.61441132"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="0.79507431"
                                 y3="2.60109979"
                                 z3="0.52821201"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-1.62217745"
                                 y3="1.67622431"
                                 z3="1.55218113"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="0.76652961"
                                 y3="0.77068922"
                                 z3="2.57370326"/>
                           <atom elementType="O"
                                 id="a45"
                                 x3="-2.41530243"
                                 y3="0.93043278"
                                 z3="-1.03676068"/>
                           <atom elementType="O"
                                 id="a46"
                                 x3="-2.45110875"
                                 y3="-0.92228992"
                                 z3="1.04895242"/>
                           <atom elementType="O"
                                 id="a47"
                                 x3="-0.00901971"
                                 y3="-1.86553974"
                                 z3="2.09082533"/>
                           <atom elementType="C"
                                 id="a48"
                                 x3="1.34070677"
                                 y3="3.85070066"
                                 z3="0.2053058"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="2.35514097"
                                 y3="3.92838324"
                                 z3="0.60848194"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="1.3761808"
                                 y3="4.00467703"
                                 z3="-0.87874476"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="0.71753678"
                                 y3="4.64251446"
                                 z3="0.63674716"/>
                           <atom elementType="C"
                                 id="a52"
                                 x3="-2.94613295"
                                 y3="1.99774537"
                                 z3="1.87961683"/>
                           <atom elementType="H"
                                 id="a53"
                                 x3="-3.06292304"
                                 y3="1.99537749"
                                 z3="2.9688395"/>
                           <atom elementType="H"
                                 id="a54"
                                 x3="-3.19400337"
                                 y3="2.9897908"
                                 z3="1.48716609"/>
                           <atom elementType="H"
                                 id="a55"
                                 x3="-3.64979798"
                                 y3="1.26524858"
                                 z3="1.46592283"/>
                           <atom elementType="C"
                                 id="a56"
                                 x3="0.72173871"
                                 y3="1.87455058"
                                 z3="3.44656023"/>
                           <atom elementType="H"
                                 id="a57"
                                 x3="0.21133535"
                                 y3="1.5830125"
                                 z3="4.37060894"/>
                           <atom elementType="H"
                                 id="a58"
                                 x3="1.74365593"
                                 y3="2.19396784"
                                 z3="3.67522233"/>
                           <atom elementType="H"
                                 id="a59"
                                 x3="0.18138477"
                                 y3="2.710907"
                                 z3="2.99313114"/>
                           <atom elementType="C"
                                 id="a60"
                                 x3="-3.69813489"
                                 y3="1.32696161"
                                 z3="-1.37517232"/>
                           <atom elementType="H"
                                 id="a61"
                                 x3="-3.9223687"
                                 y3="1.08900356"
                                 z3="-2.43076627"/>
                           <atom elementType="H"
                                 id="a62"
                                 x3="-4.45448854"
                                 y3="0.84817284"
                                 z3="-0.73176515"/>
                           <atom elementType="H"
                                 id="a63"
                                 x3="-3.81005846"
                                 y3="2.4095527"
                                 z3="-1.26217877"/>
                           <atom elementType="C"
                                 id="a64"
                                 x3="-3.11044531"
                                 y3="-2.03269411"
                                 z3="1.59180184"/>
                           <atom elementType="H"
                                 id="a65"
                                 x3="-3.79113355"
                                 y3="-2.47531837"
                                 z3="0.85417331"/>
                           <atom elementType="H"
                                 id="a66"
                                 x3="-2.38856693"
                                 y3="-2.792862"
                                 z3="1.90716671"/>
                           <atom elementType="H"
                                 id="a67"
                                 x3="-3.6861599"
                                 y3="-1.72133403"
                                 z3="2.46967806"/>
                           <atom elementType="C"
                                 id="a68"
                                 x3="0.7117661"
                                 y3="-2.21929007"
                                 z3="3.24829207"/>
                           <atom elementType="H"
                                 id="a69"
                                 x3="1.12435166"
                                 y3="-3.22648875"
                                 z3="3.12580302"/>
                           <atom elementType="H"
                                 id="a70"
                                 x3="1.53354163"
                                 y3="-1.51884352"
                                 z3="3.42474727"/>
                           <atom elementType="H"
                                 id="a71"
                                 x3="0.03955887"
                                 y3="-2.19836552"
                                 z3="4.11263367"/>
                           <atom elementType="O"
                                 id="a72"
                                 x3="-3.50527021"
                                 y3="-1.74801813"
                                 z3="-1.69739012"/>
                           <atom elementType="V"
                                 id="a73"
                                 x3="-1.70560003"
                                 y3="-0.87978812"
                                 z3="-0.75638923"/>
                           <atom elementType="H"
                                 id="a74"
                                 x3="-4.07286344"
                                 y3="-1.00498767"
                                 z3="-1.93429683"/>
                           <atom elementType="H"
                                 id="a75"
                                 x3="-3.18970634"
                                 y3="-2.11779523"
                                 z3="-2.53149544"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a1 a6" order="S"/>
                           <bond atomRefs2="a1 a47" order="S"/>
                           <bond atomRefs2="a1 a8" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a3 a7" order="S"/>
                           <bond atomRefs2="a3 a10" order="S"/>
                           <bond atomRefs2="a3 a6" order="S"/>
                           <bond atomRefs2="a3 a9" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a5 a73" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a6 a16" order="S"/>
                           <bond atomRefs2="a7 a73" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a8 a38" order="S"/>
                           <bond atomRefs2="a8 a24" order="S"/>
                           <bond atomRefs2="a9 a38" order="S"/>
                           <bond atomRefs2="a9 a28" order="S"/>
                           <bond atomRefs2="a10 a36" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a11 a73" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a15" order="S"/>
                           <bond atomRefs2="a12 a14" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a19" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a20 a22" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a23" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a24 a26" order="S"/>
                           <bond atomRefs2="a24 a27" order="S"/>
                           <bond atomRefs2="a28 a31" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a32 a34" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                           <bond atomRefs2="a32 a35" order="S"/>
                           <bond atomRefs2="a36 a45" order="S"/>
                           <bond atomRefs2="a36 a43" order="S"/>
                           <bond atomRefs2="a36 a42" order="S"/>
                           <bond atomRefs2="a36 a37" order="S"/>
                           <bond atomRefs2="a38 a44" order="S"/>
                           <bond atomRefs2="a38 a42" order="S"/>
                           <bond atomRefs2="a38 a39" order="S"/>
                           <bond atomRefs2="a40 a46" order="S"/>
                           <bond atomRefs2="a40 a47" order="S"/>
                           <bond atomRefs2="a40 a43" order="S"/>
                           <bond atomRefs2="a40 a44" order="S"/>
                           <bond atomRefs2="a40 a41" order="S"/>
                           <bond atomRefs2="a42 a48" order="S"/>
                           <bond atomRefs2="a43 a52" order="S"/>
                           <bond atomRefs2="a44 a56" order="S"/>
                           <bond atomRefs2="a45 a73" order="S"/>
                           <bond atomRefs2="a45 a60" order="S"/>
                           <bond atomRefs2="a46 a73" order="S"/>
                           <bond atomRefs2="a46 a64" order="S"/>
                           <bond atomRefs2="a47 a68" order="S"/>
                           <bond atomRefs2="a48 a51" order="S"/>
                           <bond atomRefs2="a48 a50" order="S"/>
                           <bond atomRefs2="a48 a49" order="S"/>
                           <bond atomRefs2="a52 a55" order="S"/>
                           <bond atomRefs2="a52 a53" order="S"/>
                           <bond atomRefs2="a52 a54" order="S"/>
                           <bond atomRefs2="a56 a57" order="S"/>
                           <bond atomRefs2="a56 a58" order="S"/>
                           <bond atomRefs2="a56 a59" order="S"/>
                           <bond atomRefs2="a60 a61" order="S"/>
                           <bond atomRefs2="a60 a62" order="S"/>
                           <bond atomRefs2="a60 a63" order="S"/>
                           <bond atomRefs2="a64 a65" order="S"/>
                           <bond atomRefs2="a64 a67" order="S"/>
                           <bond atomRefs2="a64 a66" order="S"/>
                           <bond atomRefs2="a68 a69" order="S"/>
                           <bond atomRefs2="a68 a71" order="S"/>
                           <bond atomRefs2="a68 a70" order="S"/>
                           <bond atomRefs2="a72 a73" order="S"/>
                           <bond atomRefs2="a72 a75" order="S"/>
                           <bond atomRefs2="a72 a74" order="S"/>
                        </bondArray>
                        <formula concise="C12H38O19V6">
                           <atomArray count="12 38 19 6" elementType="C H O V"/>
                        </formula>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">753.7660000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/12CH3O.H2O.6O.6V/c12*1-2;;;;;;;;;;;;;/h12*1H3;1H2;;;;;;;;;;;;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:12,5;16,6;20,7;24,8;28,9;32,10;48,42;52,43;56,44;60,45;64,46;68,47;72;2;4;11;37;39;41;1;3;36;38;40;73/CRV:12*2.1;;;;;;;;;;;;;/rA:75VO1VO1O3O3O3O3O3O3O1CHHHCHHHCHHHCHHHCHHHCHHHVO1VO1VO1O3O3O3O3O3O3CHHHCHHHCHHHCHHHCHHHCHHHO3VHH/rB:s1;;s3;s1;s1s3;s3;s1;s3;s3;;s5;s12;s12;s12;s6;s16;s16;s16;s7;s20;s20;s20;s8;s24;s24;s24;s9;s28;s28;s28;s10;s32;s32;s32;s10;s36;s8s9;s38;;s40;s36s38;s36s40;s38s40;s36;s40;s1s40;s42;s48;s48;s48;s43;s52;s52;s52;s44;s56;s56;s56;s45;s60;s60;s60;s46;s64;s64;s64;s47;s68;s68;s68;;s5s7s11s45s46s72;s72;s72;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                     <list cmlx:templateRef="centnuclmass">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.03047969</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.02468478</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.01051458</scalar>
                     </list>
                     <list cmlx:templateRef="centnuclcharge">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.04903427</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.03540385</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.01050948</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="module" id="ridft">
                  <module cmlx:templateRef="program">
                     <list cmlx:templateRef="prog">
                        <scalar dataType="xsd:string" dictRef="t:module">ridft</scalar>
                     </list>
                     <scalar dataType="xsd:date" dictRef="cc:date">2024-02-07T15:56:35.197</scalar>
                  </module>
                  <module cmlx:templateRef="atomcoord">
                     <list cmlx:templateRef="centnuclmass">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.03048480</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.02469226</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.01049811</scalar>
                     </list>
                     <list cmlx:templateRef="centnuclcharge">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.04903878</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.03541061</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.01052427</scalar>
                     </list>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:dateEnd">
                  <scalar dataType="xsd:date">2024-02-07T15:59:14.768</scalar>
               </property>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
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                        y3="1.87656173"
                        z3="-2.02898595"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-0.05240509"
                        y3="-0.0309883"
                        z3="-0.01275159"/>
                  <atom elementType="C"
                        id="a12"
                        x3="-1.3293863"
                        y3="-3.90892745"
                        z3="-0.50902853"/>
                  <atom elementType="H"
                        id="a13"
                        x3="-2.40356948"
                        y3="-3.93378606"
                        z3="-0.73362162"/>
                  <atom elementType="H"
                        id="a14"
                        x3="-1.1694906"
                        y3="-4.40045298"
                        z3="0.45576653"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-0.79596437"
                        y3="-4.49071589"
                        z3="-1.27112503"/>
                  <atom elementType="C"
                        id="a16"
                        x3="2.797896"
                        y3="-2.13950328"
                        z3="-1.99596856"/>
                  <atom elementType="H"
                        id="a17"
                        x3="2.75216683"
                        y3="-2.27576726"
                        z3="-3.08290686"/>
                  <atom elementType="H"
                        id="a18"
                        x3="3.0800575"
                        y3="-3.08496042"
                        z3="-1.52129313"/>
                  <atom elementType="H"
                        id="a19"
                        x3="3.57111552"
                        y3="-1.39319793"
                        z3="-1.78586045"/>
                  <atom elementType="C"
                        id="a20"
                        x3="-0.77625575"
                        y3="-1.85863052"
                        z3="-3.4267461"/>
                  <atom elementType="H"
                        id="a21"
                        x3="-0.24921797"
                        y3="-1.56785959"
                        z3="-4.34135115"/>
                  <atom elementType="H"
                        id="a22"
                        x3="-1.77978298"
                        y3="-2.21100339"
                        z3="-3.73500261"/>
                  <atom elementType="H"
                        id="a23"
                        x3="-0.24436913"
                        y3="-2.69679149"
                        z3="-2.96483473"/>
                  <atom elementType="C"
                        id="a24"
                        x3="3.72789605"
                        y3="-1.29794716"
                        z3="1.07192175"/>
                  <atom elementType="H"
                        id="a25"
                        x3="4.20679457"
                        y3="-0.90572198"
                        z3="1.97599124"/>
                  <atom elementType="H"
                        id="a26"
                        x3="4.23882183"
                        y3="-0.8611691"
                        z3="0.20699979"/>
                  <atom elementType="H"
                        id="a27"
                        x3="3.84597876"
                        y3="-2.38585108"
                        z3="1.04099586"/>
                  <atom elementType="C"
                        id="a28"
                        x3="3.21078158"
                        y3="1.83263269"
                        z3="-1.61889354"/>
                  <atom elementType="H"
                        id="a29"
                        x3="3.89980301"
                        y3="2.26538116"
                        z3="-0.88653614"/>
                  <atom elementType="H"
                        id="a30"
                        x3="2.59670809"
                        y3="2.63278528"
                        z3="-2.04491547"/>
                  <atom elementType="H"
                        id="a31"
                        x3="3.78480077"
                        y3="1.38023067"
                        z3="-2.43595811"/>
                  <atom elementType="C"
                        id="a32"
                        x3="-0.68321447"
                        y3="2.25494901"
                        z3="-3.18894573"/>
                  <atom elementType="H"
                        id="a33"
                        x3="-1.09244315"
                        y3="3.26292362"
                        z3="-3.06024508"/>
                  <atom elementType="H"
                        id="a34"
                        x3="-1.50841186"
                        y3="1.56453134"
                        z3="-3.40060946"/>
                  <atom elementType="H"
                        id="a35"
                        x3="0.0007958"
                        y3="2.2407576"
                        z3="-4.0442736"/>
                  <atom elementType="V"
                        id="a36"
                        x3="-0.9474635"
                        y3="2.12393058"
                        z3="-0.28178"/>
                  <atom elementType="O"
                        id="a37"
                        x3="-1.62310909"
                        y3="3.53825952"
                        z3="-0.48894627"/>
                  <atom elementType="V"
                        id="a38"
                        x3="1.90142471"
                        y3="0.98242128"
                        z3="0.93599796"/>
                  <atom elementType="O"
                        id="a39"
                        x3="3.1959202"
                        y3="1.62891881"
                        z3="1.56262687"/>
                  <atom elementType="V"
                        id="a40"
                        x3="-0.96837268"
                        y3="-0.10552472"
                        z3="2.18755792"/>
                  <atom elementType="O"
                        id="a41"
                        x3="-1.63861992"
                        y3="-0.20642661"
                        z3="3.61437354"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.79507936"
                        y3="2.60109673"
                        z3="0.52819983"/>
                  <atom elementType="O"
                        id="a43"
                        x3="-1.62218269"
                        y3="1.67622557"
                        z3="1.5521913"/>
                  <atom elementType="O"
                        id="a44"
                        x3="0.76650608"
                        y3="0.7707033"
                        z3="2.57370135"/>
                  <atom elementType="O"
                        id="a45"
                        x3="-2.41529303"
                        y3="0.93043181"
                        z3="-1.03678428"/>
                  <atom elementType="O"
                        id="a46"
                        x3="-2.45112574"
                        y3="-0.92227899"
                        z3="1.04891317"/>
                  <atom elementType="O"
                        id="a47"
                        x3="-0.00902248"
                        y3="-1.86554991"
                        z3="2.09080603"/>
                  <atom elementType="C"
                        id="a48"
                        x3="1.34072336"
                        y3="3.85068485"
                        z3="0.20526093"/>
                  <atom elementType="H"
                        id="a49"
                        x3="2.35515086"
                        y3="3.92837832"
                        z3="0.60845185"/>
                  <atom elementType="H"
                        id="a50"
                        x3="1.37621373"
                        y3="4.00462446"
                        z3="-0.87879399"/>
                  <atom elementType="H"
                        id="a51"
                        x3="0.71754968"
                        y3="4.64251501"
                        z3="0.63666718"/>
                  <atom elementType="C"
                        id="a52"
                        x3="-2.94611672"
                        y3="1.99777145"
                        z3="1.87968659"/>
                  <atom elementType="H"
                        id="a53"
                        x3="-3.06283788"
                        y3="1.9954515"
                        z3="2.96891726"/>
                  <atom elementType="H"
                        id="a54"
                        x3="-3.19400721"
                        y3="2.98980229"
                        z3="1.4872125"/>
                  <atom elementType="H"
                        id="a55"
                        x3="-3.64981201"
                        y3="1.26526082"
                        z3="1.46606943"/>
                  <atom elementType="C"
                        id="a56"
                        x3="0.72169487"
                        y3="1.87458503"
                        z3="3.44653359"/>
                  <atom elementType="H"
                        id="a57"
                        x3="0.21127552"
                        y3="1.58306439"
                        z3="4.37057949"/>
                  <atom elementType="H"
                        id="a58"
                        x3="1.74360491"
                        y3="2.19401299"
                        z3="3.67521104"/>
                  <atom elementType="H"
                        id="a59"
                        x3="0.18134688"
                        y3="2.710928"
                        z3="2.99307525"/>
                  <atom elementType="C"
                        id="a60"
                        x3="-3.69815225"
                        y3="1.32694478"
                        z3="-1.3750954"/>
                  <atom elementType="H"
                        id="a61"
                        x3="-3.92250726"
                        y3="1.08888084"
                        z3="-2.43064112"/>
                  <atom elementType="H"
                        id="a62"
                        x3="-4.45444331"
                        y3="0.84823858"
                        z3="-0.7315543"/>
                  <atom elementType="H"
                        id="a63"
                        x3="-3.81003124"
                        y3="2.40955351"
                        z3="-1.26223406"/>
                  <atom elementType="C"
                        id="a64"
                        x3="-3.11051431"
                        y3="-2.0326638"
                        z3="1.59173554"/>
                  <atom elementType="H"
                        id="a65"
                        x3="-3.79120242"
                        y3="-2.47525009"
                        z3="0.85408239"/>
                  <atom elementType="H"
                        id="a66"
                        x3="-2.38867519"
                        y3="-2.79286702"
                        z3="1.90710693"/>
                  <atom elementType="H"
                        id="a67"
                        x3="-3.68624063"
                        y3="-1.72129606"
                        z3="2.46960203"/>
                  <atom elementType="C"
                        id="a68"
                        x3="0.71180068"
                        y3="-2.21932586"
                        z3="3.24824289"/>
                  <atom elementType="H"
                        id="a69"
                        x3="1.1243718"
                        y3="-3.2265254"
                        z3="3.12571113"/>
                  <atom elementType="H"
                        id="a70"
                        x3="1.53359172"
                        y3="-1.51889273"
                        z3="3.42467649"/>
                  <atom elementType="H"
                        id="a71"
                        x3="0.03962961"
                        y3="-2.19841276"
                        z3="4.11261228"/>
                  <atom elementType="O"
                        id="a72"
                        x3="-3.50519599"
                        y3="-1.74796662"
                        z3="-1.69746349"/>
                  <atom elementType="V"
                        id="a73"
                        x3="-1.70560653"
                        y3="-0.87980005"
                        z3="-0.75642434"/>
                  <atom elementType="H"
                        id="a74"
                        x3="-4.07278611"
                        y3="-1.00493267"
                        z3="-1.93447158"/>
                  <atom elementType="H"
                        id="a75"
                        x3="-3.18962727"
                        y3="-2.1179356"
                        z3="-2.53148866"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a47" order="S"/>
                  <bond atomRefs2="a1 a8" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a10" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a3 a9" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a5 a73" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a6 a16" order="S"/>
                  <bond atomRefs2="a7 a73" order="S"/>
                  <bond atomRefs2="a7 a20" order="S"/>
                  <bond atomRefs2="a8 a38" order="S"/>
                  <bond atomRefs2="a8 a24" order="S"/>
                  <bond atomRefs2="a9 a38" order="S"/>
                  <bond atomRefs2="a9 a28" order="S"/>
                  <bond atomRefs2="a10 a36" order="S"/>
                  <bond atomRefs2="a10 a32" order="S"/>
                  <bond atomRefs2="a11 a73" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a24 a25" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a38 a44" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a40 a46" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a43" order="S"/>
                  <bond atomRefs2="a40 a44" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a42 a48" order="S"/>
                  <bond atomRefs2="a43 a52" order="S"/>
                  <bond atomRefs2="a44 a56" order="S"/>
                  <bond atomRefs2="a45 a73" order="S"/>
                  <bond atomRefs2="a45 a60" order="S"/>
                  <bond atomRefs2="a46 a73" order="S"/>
                  <bond atomRefs2="a46 a64" order="S"/>
                  <bond atomRefs2="a47 a68" order="S"/>
                  <bond atomRefs2="a48 a51" order="S"/>
                  <bond atomRefs2="a48 a50" order="S"/>
                  <bond atomRefs2="a48 a49" order="S"/>
                  <bond atomRefs2="a52 a55" order="S"/>
                  <bond atomRefs2="a52 a53" order="S"/>
                  <bond atomRefs2="a52 a54" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
                  <bond atomRefs2="a56 a58" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a60 a61" order="S"/>
                  <bond atomRefs2="a60 a62" order="S"/>
                  <bond atomRefs2="a60 a63" order="S"/>
                  <bond atomRefs2="a64 a65" order="S"/>
                  <bond atomRefs2="a64 a67" order="S"/>
                  <bond atomRefs2="a64 a66" order="S"/>
                  <bond atomRefs2="a68 a69" order="S"/>
                  <bond atomRefs2="a68 a71" order="S"/>
                  <bond atomRefs2="a68 a70" order="S"/>
                  <bond atomRefs2="a72 a73" order="S"/>
                  <bond atomRefs2="a72 a75" order="S"/>
                  <bond atomRefs2="a72 a74" order="S"/>
               </bondArray>
               <formula concise="C12H38O19V6">
                  <atomArray count="12 38 19 6" elementType="C H O V"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">753.7660000000005</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/12CH3O.H2O.6O.6V/c12*1-2;;;;;;;;;;;;;/h12*1H3;1H2;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:12,5;16,6;20,7;24,8;28,9;32,10;48,42;52,43;56,44;60,45;64,46;68,47;72;2;4;11;37;39;41;1;3;36;38;40;73/CRV:12*2.1;;;;;;;;;;;;;/rA:75VO1VO1O3O3O3O3O3O3O1CHHHCHHHCHHHCHHHCHHHCHHHVO1VO1VO1O3O3O3O3O3O3CHHHCHHHCHHHCHHHCHHHCHHHO3VHH/rB:s1;;s3;s1;s1s3;s3;s1;s3;s3;;s5;s12;s12;s12;s6;s16;s16;s16;s7;s20;s20;s20;s8;s24;s24;s24;s9;s28;s28;s28;s10;s32;s32;s32;s10;s36;s8s9;s38;;s40;s36s38;s36s40;s38s40;s36;s40;s1s40;s42;s48;s48;s48;s43;s52;s52;s52;s44;s56;s56;s56;s45;s60;s60;s60;s46;s64;s64;s64;s47;s68;s68;s68;;s5s7s11s45s46s72;s72;s72;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="orbitals" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="mooccupation">
                     <array dataType="xsd:string" dictRef="t:irrep" size="1">a</array>
                     <array dataType="xsd:integer" dictRef="t:numberofmos" size="1">1459</array>
                     <array dataType="xsd:integer" dictRef="t:occupiedmos" size="1">204</array>
                  </list>
                  <scalar dataType="xsd:integer" dictRef="t:basisnumber">1459</scalar>
                  <scalar dataType="xsd:integer" dictRef="t:occupied">204</scalar>
               </module>
               <module cmlx:templateRef="convergence.info" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energyChange">
                     <scalar dataType="xsd:string" dictRef="cc:converged">yes</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:value">0.0000004</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:criterion">0.0000010</scalar>
                  </list>
                  <list cmlx:templateRef="rmsDisplacement">
                     <scalar dataType="xsd:string" dictRef="cc:converged">yes</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:value">0.0000641</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:criterion">0.0005000</scalar>
                  </list>
                  <list cmlx:templateRef="rmsGradient">
                     <scalar dataType="xsd:string" dictRef="cc:converged">yes</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:value">0.0000162</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:criterion">0.0005000</scalar>
                  </list>
                  <list cmlx:templateRef="maxDisplacement">
                     <scalar dataType="xsd:string" dictRef="cc:converged">yes</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:value">0.0004848</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:criterion">0.0010000</scalar>
                  </list>
                  <list cmlx:templateRef="maxGradient">
                     <scalar dataType="xsd:string" dictRef="cc:converged">yes</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:value">0.0000926</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:criterion">0.0001000</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="orbitals" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="mooccupation">
                     <array dataType="xsd:string" dictRef="t:irrep" size="1">a</array>
                     <array dataType="xsd:integer" dictRef="t:numberofmos" size="1">1459</array>
                     <array dataType="xsd:integer" dictRef="t:occupiedmos" size="1">204</array>
                  </list>
                  <scalar dataType="xsd:integer" dictRef="t:basisnumber">1459</scalar>
                  <scalar dataType="xsd:integer" dictRef="t:occupied">204</scalar>
               </module>
               <module cmlx:templateRef="nuclear.repulsion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:nucrepener" units="nonsi:hartree">10792.318583501</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="t:empdispcorrection"
                          units="nonsi:hartree">-0.121256103</scalar>
               </module>
               <module cmlx:templateRef="orbitalenergies" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="unrestricted.orbitals.alpha">
                     <array dataType="xsd:string"
                            delimiter="|"
                            dictRef="cc:irrep"
                            size="10">200a|201a|202a|203a|204a|205a|206a|207a|208a|209a</array>
                     <array dataType="xsd:double" dictRef="t:eigen" size="10">-0.11822 -0.11238 -0.10988 -0.10788 -0.09042 0.04106 0.06577 0.07132 0.07518 0.07593</array>
                     <array dataType="xsd:double"
                            dictRef="t:orbitalenergy"
                            size="10"
                            units="nonsi:electronvolt">-3.2170 -3.0580 -2.9901 -2.9356 -2.4605 1.1174 1.7898 1.9407 2.0457 2.0662</array>
                     <array dataType="xsd:double" dictRef="cc:occupation" size="10">1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     <scalar dictRef="t:spin">alpha</scalar>
                  </module>
                  <module cmlx:templateRef="unrestricted.orbitals.beta">
                     <array dataType="xsd:string"
                            delimiter="|"
                            dictRef="cc:irrep"
                            size="10">193a|194a|195a|196a|197a|198a|199a|200a|201a|202a</array>
                     <array dataType="xsd:double" dictRef="t:eigen" size="10">-0.17096 -0.16713 -0.16575 -0.15889 -0.15670 0.06695 0.08075 0.08599 0.09159 0.09716</array>
                     <array dataType="xsd:double"
                            dictRef="t:orbitalenergy"
                            size="10"
                            units="nonsi:electronvolt">-4.6520 -4.5479 -4.5104 -4.3237 -4.2641 1.8217 2.1973 2.3399 2.4924 2.6440</array>
                     <array dataType="xsd:double" dictRef="cc:occupation" size="10">1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     <scalar dictRef="t:spin">beta</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="s2" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:s2">15.82694925</scalar>
               </module>
               <module cmlx:templateRef="electrostatic.moments" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="t:nuclearCharge">400.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="t:electronCharge">-401.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="t:charge">-1.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="t:spinPolarization">7.000000</scalar>
                  <array dataType="xsd:double" dictRef="cc:dipole" size="9">-19.615513 17.228493 -2.387021 -14.164244 13.154735 -1.009509 -4.209709 2.392970 -1.816739</array>
                  <scalar dataType="xsd:string" dictRef="t:debye">8.0447</scalar>
                  <scalar dataType="xsd:double" dictRef="t:onethirdtrace">-228.822893</scalar>
                  <scalar dataType="xsd:double" dictRef="t:anisotropy">31.530631</scalar>
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="18">5174.908635 -5392.138440 -217.229805 4998.591283 -5233.011423 -234.420140 4822.794331 -5057.613063 -234.818732 41.096600 -33.354064 7.742536 0.577977 11.308918 11.886895 29.532748 -24.118972 5.413776</array>
               </module>
               <module cmlx:templateRef="orbitals" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="mooccupation">
                     <array dataType="xsd:string" dictRef="t:irrep" size="1">a</array>
                     <array dataType="xsd:integer" dictRef="t:numberofmos" size="1">1459</array>
                     <array dataType="xsd:integer" dictRef="t:occupiedmos" size="1">204</array>
                  </list>
                  <scalar dataType="xsd:integer" dictRef="t:basisnumber">1459</scalar>
                  <scalar dataType="xsd:integer" dictRef="t:occupied">204</scalar>
               </module>
               <module cmlx:templateRef="convergence.info" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energyChange">
                     <scalar dataType="xsd:string" dictRef="cc:converged">yes</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:value">0.0000004</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:criterion">0.0000010</scalar>
                  </list>
                  <list cmlx:templateRef="rmsDisplacement">
                     <scalar dataType="xsd:string" dictRef="cc:converged">yes</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:value">0.0000641</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:criterion">0.0005000</scalar>
                  </list>
                  <list cmlx:templateRef="rmsGradient">
                     <scalar dataType="xsd:string" dictRef="cc:converged">yes</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:value">0.0000162</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:criterion">0.0005000</scalar>
                  </list>
                  <list cmlx:templateRef="maxDisplacement">
                     <scalar dataType="xsd:string" dictRef="cc:converged">yes</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:value">0.0004848</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:criterion">0.0010000</scalar>
                  </list>
                  <list cmlx:templateRef="maxGradient">
                     <scalar dataType="xsd:string" dictRef="cc:converged">yes</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:value">0.0000926</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:criterion">0.0001000</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="orbitals" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="mooccupation">
                     <array dataType="xsd:string" dictRef="t:irrep" size="1">a</array>
                     <array dataType="xsd:integer" dictRef="t:numberofmos" size="1">1459</array>
                     <array dataType="xsd:integer" dictRef="t:occupiedmos" size="1">204</array>
                  </list>
                  <scalar dataType="xsd:integer" dictRef="t:basisnumber">1459</scalar>
                  <scalar dataType="xsd:integer" dictRef="t:occupied">204</scalar>
               </module>
               <module cmlx:templateRef="nuclear.repulsion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:nucrepener" units="nonsi:hartree">10792.318583501</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="t:empdispcorrection"
                          units="nonsi:hartree">-0.121256103</scalar>
               </module>
               <module cmlx:templateRef="orbitalenergies" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="unrestricted.orbitals.alpha">
                     <array dataType="xsd:string"
                            delimiter="|"
                            dictRef="cc:irrep"
                            size="10">200a|201a|202a|203a|204a|205a|206a|207a|208a|209a</array>
                     <array dataType="xsd:double" dictRef="t:eigen" size="10">-0.11822 -0.11238 -0.10988 -0.10788 -0.09042 0.04106 0.06577 0.07132 0.07518 0.07593</array>
                     <array dataType="xsd:double"
                            dictRef="t:orbitalenergy"
                            size="10"
                            units="nonsi:electronvolt">-3.2170 -3.0580 -2.9901 -2.9356 -2.4605 1.1174 1.7898 1.9407 2.0457 2.0662</array>
                     <array dataType="xsd:double" dictRef="cc:occupation" size="10">1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     <scalar dictRef="t:spin">alpha</scalar>
                  </module>
                  <module cmlx:templateRef="unrestricted.orbitals.beta">
                     <array dataType="xsd:string"
                            delimiter="|"
                            dictRef="cc:irrep"
                            size="10">193a|194a|195a|196a|197a|198a|199a|200a|201a|202a</array>
                     <array dataType="xsd:double" dictRef="t:eigen" size="10">-0.17096 -0.16713 -0.16575 -0.15889 -0.15670 0.06695 0.08075 0.08599 0.09159 0.09716</array>
                     <array dataType="xsd:double"
                            dictRef="t:orbitalenergy"
                            size="10"
                            units="nonsi:electronvolt">-4.6520 -4.5479 -4.5104 -4.3237 -4.2641 1.8217 2.1973 2.3399 2.4924 2.6440</array>
                     <array dataType="xsd:double" dictRef="cc:occupation" size="10">1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     <scalar dictRef="t:spin">beta</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="s2" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:s2">15.82694925</scalar>
               </module>
               <module cmlx:templateRef="electrostatic.moments" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="t:nuclearCharge">400.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="t:electronCharge">-401.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="t:charge">-1.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="t:spinPolarization">7.000000</scalar>
                  <array dataType="xsd:double" dictRef="cc:dipole" size="9">-19.615513 17.228493 -2.387021 -14.164244 13.154735 -1.009509 -4.209709 2.392970 -1.816739</array>
                  <scalar dataType="xsd:string" dictRef="t:debye">8.0447</scalar>
                  <scalar dataType="xsd:double" dictRef="t:onethirdtrace">-228.822893</scalar>
                  <scalar dataType="xsd:double" dictRef="t:anisotropy">31.530631</scalar>
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="18">5174.908635 -5392.138440 -217.229805 4998.591283 -5233.011423 -234.420140 4822.794331 -5057.613063 -234.818732 41.096600 -33.354064 7.742536 0.577977 11.308918 11.886895 29.532748 -24.118972 5.413776</array>
               </module>
               <module cmlx:templateRef="unrestrictedorbitals" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="t:spintype">alpha</scalar>
                  <array dataType="xsd:string" dictRef="t:label" size="1">a</array>
                  <array dataType="xsd:string" dictRef="t:mosrange" size="1">1-204</array>
               </module>
               <module cmlx:templateRef="unrestrictedorbitals" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="t:spintype">beta</scalar>
                  <array dataType="xsd:string" dictRef="t:label" size="1">a</array>
                  <array dataType="xsd:string" dictRef="t:mosrange" size="1">1-197</array>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
