<?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:o="http://www.iochem-bd.org/dictionary/orca/"
        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="orca.log">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Orca</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string" id="copy.0">5.0.3</scalar>
               </parameter>
               <parameter dictRef="cc:programSubversion">
                  <scalar dataType="xsd:string" id="copy.1">RELEASE</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList/>
            <molecule id="molecule">
               <atomArray>
                  <atom elementType="O"
                        id="a1"
                        x3="-1.3769174"
                        y3="-0.1999745"
                        z3="-0.8088219"/>
                  <atom elementType="H"
                        id="a2"
                        x3="-0.8047995"
                        y3="-1.7156971"
                        z3="0.1294941"/>
                  <atom elementType="H"
                        id="a3"
                        x3="-0.1861334"
                        y3="0.7811425"
                        z3="1.0757929"/>
                  <atom elementType="O"
                        id="a4"
                        x3="-0.0371102"
                        y3="-0.3155403"
                        z3="-0.6319412"/>
                  <atom elementType="O"
                        id="a5"
                        x3="0.1605101"
                        y3="-1.5089898"
                        z3="0.0962016"/>
                  <atom elementType="C"
                        id="a6"
                        x3="0.4414554"
                        y3="0.7538359"
                        z3="0.1779488"/>
                  <atom elementType="H"
                        id="a7"
                        x3="0.3067014"
                        y3="1.6511147"
                        z3="-0.4321258"/>
                  <atom elementType="H"
                        id="a8"
                        x3="1.4962937"
                        y3="0.5541086"
                        z3="0.3934514"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
               </bondArray>
               <formula concise="CH4O3">
                  <atomArray count="1 4 3" elementType="C H O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">60.0089</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1/CH4O3/c1-4(2)3/h2H,1H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,5,1,4/CRV:3.1,4.3/rA:8nO1HHO3OCHH/rB:;;s1;s2s4;s3s4;s6;s6;/rC:-1.3769,-.2,-.8088;-.8048,-1.7157,.1295;-.1861,.7811,1.0758;-.0371,-.3155,-.6319;.1605,-1.509,.0962;.4415,.7538,.1779;.3067,1.6511,-.4321;1.4963,.5541,.3935;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="scfsettings" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="section" name="General Settings">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Charge</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Mult</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="input" id="initialization">
                  <module cmlx:templateRef="job">
                     <array dataType="xsd:string" dictRef="cc:keywords" size="2">dlpno-ccsd(t) cc-pvtz</array>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation"/>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList/>
            <molecule id="finalization.0">
               <atomArray>
                  <atom elementType="O"
                        id="a1"
                        x3="-1.3769174"
                        y3="-0.1999745"
                        z3="-0.8088219"/>
                  <atom elementType="H"
                        id="a2"
                        x3="-0.8047995"
                        y3="-1.7156971"
                        z3="0.1294941"/>
                  <atom elementType="H"
                        id="a3"
                        x3="-0.1861334"
                        y3="0.7811425"
                        z3="1.0757929"/>
                  <atom elementType="O"
                        id="a4"
                        x3="-0.0371102"
                        y3="-0.3155403"
                        z3="-0.6319412"/>
                  <atom elementType="O"
                        id="a5"
                        x3="0.1605101"
                        y3="-1.5089898"
                        z3="0.0962016"/>
                  <atom elementType="C"
                        id="a6"
                        x3="0.4414554"
                        y3="0.7538359"
                        z3="0.1779488"/>
                  <atom elementType="H"
                        id="a7"
                        x3="0.3067014"
                        y3="1.6511147"
                        z3="-0.4321258"/>
                  <atom elementType="H"
                        id="a8"
                        x3="1.4962937"
                        y3="0.5541086"
                        z3="0.3934514"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
               </bondArray>
               <formula concise="CH4O3">
                  <atomArray count="1 4 3" elementType="C H O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">60.0089</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1/CH4O3/c1-4(2)3/h2H,1H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,5,1,4/CRV:3.1,4.3/rA:8nO1HHO3OCHH/rB:;;s1;s2s4;s3s4;s6;s6;/rC:-1.3769,-.2,-.8088;-.8048,-1.7157,.1295;-.1861,.7811,1.0758;-.0371,-.3155,-.6319;.1605,-1.509,.0962;.4415,.7538,.1779;.3067,1.6511,-.4321;1.4963,.5541,.3935;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="cpcm" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="parameters" dictRef="parameters">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Epsilon</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">80.4</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Refrac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.33</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Overall time for CPCM initialization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0s</scalar>
                     </list>
                  </list>
               </module>
               <module cmlx:templateRef="totalenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:totalener" units="nonsi:hartree">-697264.8850244161</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
