<?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 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">FREQ</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">B3LYP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">Def2SVP</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>
            <molecule cmlx:templateRef="atom" id="molecule">
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="-0.06419824"
                        y3="-0.00793019"
                        z3="-0.0000">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="O"
                        id="a2"
                        x3="1.23314376"
                        y3="0.01648189"
                        z3="0.0000">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                  </atom>
                  <atom elementType="H"
                        id="a3"
                        x3="0.64472423"
                        y3="1.03128065"
                        z3="0.0000">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H"
                        id="a4"
                        x3="-0.51366975"
                        y3="-1.03983236"
                        z3="0.0000">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
               </bondArray>
               <formula concise="CH2O">
                  <atomArray count="1 2 1" elementType="C H O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">28.0101</scalar>
               </property>
            </molecule>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:frequencies">
                  <module dictRef="cc:vibrations">
                     <array dataType="xsd:integer" dictRef="x:serial" size="6">0 1 2 3 4 5</array>
                     <array dataType="xsd:double" dictRef="cc:frequency" size="6">-2057.48289608 764.48753053 1327.25146103 1476.66809247 2636.78085628 2877.67762741</array>
                     <array dataType="xsd:double" dictRef="cc:redmass" size="6">1.11011042 1.13331104 1.48466979 3.78641544 1.02616200 1.11714936</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="72">0.0736577895 0.0269522873 -0.0000000000 0.0110603059 -0.0468028304 -0.0000000000 -0.9362476751 0.2898534373 -0.0000000000 -0.1163180866 0.1320251777 0.0000000000 -0.0000000000 -0.0000000000 0.1063487433 0.0000000000 0.0000000000 0.0088125096 -0.0000000000 -0.0000000000 -0.7022360951 -0.0000000000 -0.0000000000 -0.7039010948 0.1016740800 0.0816479266 0.0000000000 -0.1322914890 -0.0429480116 -0.0000000000 -0.0003849223 0.1101947460 0.0000000000 0.8893310025 -0.4007465104 -0.0000000000 0.3645796691 -0.1541243062 -0.0000000000 -0.2519314169 0.0837797997 0.0000000000 0.3509961679 0.1100310623 -0.0000000000 -0.6936494210 0.3954544293 0.0000000000 -0.0205570483 -0.0022958156 -0.0000000000 0.0156845567 -0.0257623591 0.0000000000 0.2374991067 0.8460836035 -0.0000000000 -0.2416551507 -0.4098803860 0.0000000000 -0.0500408439 -0.0851005576 -0.0000000000 0.0017538135 -0.0119672889 0.0000000000 0.1221460309 0.4395018324 0.0000000000 0.4458474315 0.7637054874 0.0000000000</array>
                  </module>
                  <molecule cmlx:templateRef="atom" id="molecule-rot">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="0.69592392"
                              y3="-0.07808366"
                              z3="0.0000">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O"
                              id="a2"
                              x3="-0.59353954"
                              y3="0.0667479"
                              z3="0.0000">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a3"
                              x3="-0.14235795"
                              y3="-1.01606752"
                              z3="0.0000">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a4"
                              x3="1.27601428"
                              y3="0.88645867"
                              z3="0.0000">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                     </bondArray>
                     <formula concise="CH2O">
                        <atomArray count="1 2 1" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">28.0101</scalar>
                     </property>
                  </molecule>
               </property>
               <property dictRef="cc:thermochemistry">
                  <module cmlx:templateRef="thermo">
                     <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.00</scalar>
                     <scalar cmlx:templateRef="energy"
                             dataType="xsd:double"
                             dictRef="cc:energy"
                             units="nonsi:hartree">-114.276451735641</scalar>
                     <scalar cmlx:templateRef="zpe"
                             dataType="xsd:double"
                             dictRef="cc:zpe.correction"
                             units="nonsi:hartree">0.020692289650</scalar>
                     <scalar cmlx:templateRef="elec-zpe"
                             dataType="xsd:double"
                             dictRef="cc:zpe.sumelectzpe"
                             units="nonsi:hartree">-114.255759445991</scalar>
                     <scalar cmlx:templateRef="thermal-tr"
                             dataType="xsd:double"
                             dictRef="cc:ethermo.trans"
                             units="nonsi:hartree">0.001416276854</scalar>
                     <scalar cmlx:templateRef="thermal-rot"
                             dataType="xsd:double"
                             dictRef="cc:ethermo.rot"
                             units="nonsi:hartree">0.001416276854</scalar>
                     <scalar cmlx:templateRef="thermal-vib"
                             dataType="xsd:double"
                             dictRef="cc:ethermo.vib"
                             units="nonsi:hartree">0.020797050281</scalar>
                     <scalar cmlx:templateRef="enthalpy-corr"
                             dataType="xsd:double"
                             dictRef="cc:zpe.thermalcorrenthalpy"
                             units="nonsi:hartree">0.024573788558</scalar>
                     <scalar cmlx:templateRef="enthalpy"
                             dataType="xsd:double"
                             dictRef="cc:zpe.sumelectthermalent"
                             units="nonsi:hartree">-114.251877947083</scalar>
                     <scalar cmlx:templateRef="entropy-el"
                             dataType="xsd:double"
                             dictRef="cc:s.elect"
                             units="nonsi2:hartree.K-1">0.000000000000</scalar>
                     <scalar cmlx:templateRef="entropy-tr"
                             dataType="xsd:double"
                             dictRef="cc:s.trans"
                             units="nonsi2:hartree.K-1">0.000057576784</scalar>
                     <scalar cmlx:templateRef="entropy-rot"
                             dataType="xsd:double"
                             dictRef="cc:s.rot"
                             units="nonsi2:hartree.K-1">0.000027931273</scalar>
                     <scalar dataType="xsd:integer"
                             dictRef="cc:symmnumber"
                             units="nonsi2:hartree.K-1">1</scalar>
                     <scalar cmlx:templateRef="entropy-vib"
                             dataType="xsd:double"
                             dictRef="cc:s.vib"
                             units="nonsi2:hartree.K-1">0.000000439336</scalar>
                     <scalar cmlx:templateRef="gibbs-corr"
                             dataType="xsd:double"
                             dictRef="cc:zpe.thermalcorrgfe"
                             units="nonsi:hartree">-0.001051426518</scalar>
                     <scalar cmlx:templateRef="gibbs"
                             dataType="xsd:double"
                             dictRef="cc:zpe.sumelectthermalfe"
                             units="nonsi:hartree">-114.277503162159</scalar>
                  </module>
               </property>
            </propertyList>
            <molecule cmlx:templateRef="atom" id="finalization.0">
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="-0.06419824"
                        y3="-0.00793019"
                        z3="-0.0000">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="O"
                        id="a2"
                        x3="1.23314376"
                        y3="0.01648189"
                        z3="0.0000">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                  </atom>
                  <atom elementType="H"
                        id="a3"
                        x3="0.64472423"
                        y3="1.03128065"
                        z3="0.0000">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H"
                        id="a4"
                        x3="-0.51366975"
                        y3="-1.03983236"
                        z3="0.0000">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
               </bondArray>
               <formula concise="CH2O">
                  <atomArray count="1 2 1" elementType="C H O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">28.0101</scalar>
               </property>
            </molecule>
            <module dictRef="energy.info" id="energy.info3">
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-114.276451735641</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array cmlx:templateRef="gradient-vector"
                      dataType="xsd:double"
                      dictRef="cc:grad"
                      size="12">-0.000015411633 -0.000011833303 0.000000000000 0.000003349007 0.000007583517 0.000000000000 0.000015586121 0.000009500992 -0.000000000000 -0.000003523494 -0.000005251206 -0.000000000000</array>
               <array cmlx:templateRef="hess"
                      dataType="xsd:double"
                      dictRef="cc:hessianmatrix"
                      size="78">0.483870417 0.021477761 0.399410092 0.000000000 0.000000000 0.031760643 -0.572059444 -0.025014466 0.000000000 0.573554180 0.167659525 0.037218727 -0.000000000 0.009670607 0.026493405 -0.000000000 -0.000000000 0.003555306 -0.000000000 0.000000000 0.133879425 0.029603924 -0.000000000 0.019884615 -0.110041445 -0.112346200 -0.161842890 0.000000000 0.044034835 -0.092936388 0.000000000 0.000000000 -0.017647961 -0.000000000 -0.000000000 -0.045690398 -0.026067220 -0.000000000 -0.021379351 -0.067288687 -0.076791086 -0.274785929 -0.000000000 -0.028690976 0.029224256 -0.000000000 0.000000000 -0.017667987 0.000000000 0.000000000 0.000306969 0.000000000 -0.129079016 -0.000000000 0.061067209 0.252234827 -0.001910541 -0.000000000 0.000000000 0.009768881 0.000000000 -0.024685024 0.007244156 -0.000000000 0.091754773 0.000000000 0.019370312 0.002544451 -0.000000000 0.086111750 -0.001951734 0.000000000 -0.000000000 0.009789622 0.000000000 0.243017222 0.000000000 0.009830099</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="6">-0.160200511 0.022117307 0.066664995 0.082519618 0.263111301 0.313383199</array>
            </module>
         </module>
      </module>
   </module>
</module>
