<?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:g="http://www.iochem-bd.org/dictionary/gaussian/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="grrm.log">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module cmlx:templateRef="final-geometry"/>
         <module cmlx:templateRef="frequencies"/>
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar cmlx:templateRef="program.name" dataType="xsd:string">GRRM</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:integer">23</scalar>
               </parameter>
               <parameter dictRef="cc:programDate">
                  <scalar dataType="xsd:string">January 23, 2023</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:jobtype">
                  <scalar dataType="xsd:string">MIN</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">UwB97XD</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">Def2SVP scrf=(cpcm,solvent=acetonitrile)</scalar>
               </parameter>
               <parameter dictRef="cc:charge">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="cc:multiplicity">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:irc" id="irc">
               <module id="irc-center">
                  <scalar dictRef="cc:ircStep" id="step">0</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:frequencies">
                  <module dictRef="cc:vibrations">
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                     <array dataType="xsd:double" dictRef="cc:frequency" size="198">8.37814259 13.72168332 22.94240587 31.17119845 39.18573125 45.11904908 47.51224704 53.95118050 56.95388147 60.77340659 72.28888073 73.30014710 76.45979125 80.73946867 85.45423424 91.70041498 101.14882354 105.19654614 109.39694061 114.44178858 134.41109532 149.09264883 156.81995951 167.84096173 173.42950488 178.68826743 185.63329202 200.28074441 220.05566863 238.35211373 244.89392680 251.96502204 260.16120531 282.75829995 285.78271711 299.49533481 308.73030779 326.30366183 335.58350274 337.75944961 342.32666701 346.43203443 363.31721842 372.81730582 418.21207975 424.57319107 439.39845585 471.30765582 473.03577024 480.15958553 510.62434176 536.59002435 544.26738518 553.26174482 569.26660876 589.44636152 611.65069488 619.55891693 625.05669706 634.42138049 634.85850918 659.99840071 665.82525180 671.49626000 685.80607902 695.75808011 704.77661646 725.24102610 730.55229147 732.13003026 758.67771807 774.75806328 777.39123534 787.16142118 791.09134792 801.96415612 820.54811034 836.14453168 843.11182744 846.47022429 854.85769306 867.39610509 877.04483032 879.36067147 892.55443208 895.38370258 912.23278944 919.88016154 932.32057678 961.11764461 991.39667082 1002.42970019 1006.77323170 1010.90820536 1018.77998000 1021.70712274 1026.14043248 1031.93777547 1038.87346692 1041.20659982 1042.57659159 1047.53535398 1050.44624701 1054.11002890 1060.20260467 1068.95617564 1074.69298763 1094.85960025 1097.10130326 1110.11816664 1115.41686662 1141.45397651 1142.08390001 1145.99363023 1152.21319048 1157.57331550 1165.20089234 1169.17705571 1171.69330520 1178.02757106 1189.57164737 1200.59833664 1206.83431947 1212.65562115 1232.13889043 1236.71076552 1242.28391515 1252.79623948 1264.67779854 1270.30032394 1295.49729013 1309.45522799 1324.43150923 1341.39057667 1351.32518977 1359.01782188 1369.81035051 1374.34637623 1374.64751943 1395.33730359 1399.17584820 1423.71874701 1430.57211312 1441.69451501 1445.18029886 1456.38163361 1463.67679464 1464.96204288 1467.24538312 1467.87451033 1473.15839660 1482.82697928 1492.71963735 1498.23573470 1506.58516964 1516.85179304 1527.02643024 1543.09528079 1547.48983537 1575.83680648 1595.44130249 1649.43037149 1655.99122696 1671.02505423 1673.91781052 1689.81813287 1693.89038837 1697.26380300 1718.01555444 1740.17432766 2381.36109342 2533.66824098 2969.42922354 3058.10889536 3083.58613606 3143.68352570 3157.90036988 3165.79182170 3188.11581482 3194.77807486 3195.94459977 3198.74913796 3201.20184872 3204.02027718 3204.35292812 3206.06186976 3209.39259580 3212.02474459 3212.15725129 3222.46835398 3223.38714698 3225.03507885 3230.53645861 3232.48175960 3238.86163804 3239.57597013 3281.48650713 3299.45203677</array>
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                              y3="-3.00332332"
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                     <property dictRef="cml:molmass">
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               <property dictRef="cc:thermochemistry">
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                     <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.00</scalar>
                     <list cmlx:templateRef="state"/>
                     <scalar cmlx:templateRef="energy"
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                             dictRef="cc:energy"
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         </module>
      </module>
   </module>
</module>
