<?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">IRC</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>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:irc" id="irc">
               <module id="irc-center">
                  <molecule cmlx:templateRef="atom" id="irc-center.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>
                  <scalar cmlx:templateRef="energy"
                          dataType="xsd:double"
                          dictRef="cc:energy"
                          id="irc-center.0"
                          units="nonsi:hartree">-114.276451735641</scalar>
                  <scalar dictRef="cc:ircStep" id="step">0</scalar>
               </module>
               <module cmlx:templateRef="irc-path">
                  <scalar cmlx:templateRef="direction"
                          dataType="xsd:string"
                          dictRef="g:ircDirection">FORWARD</scalar>
                  <module cmlx:templateRef="irc-iteration">
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">1</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.07115005"
                                       y3="-0.01156216"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.23143735"
                                       y3="0.02097817"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="0.74132749"
                                       y3="1.01474112"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.5004169"
                                       y3="-1.05140678"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a3" order="S"/>
                                 <bond atomRefs2="a1 a2" 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.279418458276</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">2</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.07480047"
                                       y3="-0.01360945"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.23033255"
                                       y3="0.0233734"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="0.79462214"
                                       y3="1.00728709"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.49271274"
                                       y3="-1.05759011"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a3" order="S"/>
                                 <bond atomRefs2="a1 a2" 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.283167686397</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">3</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.07873968"
                                       y3="-0.01589724"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.22899246"
                                       y3="0.02590847"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="0.85372571"
                                       y3="1.00118555"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.48364447"
                                       y3="-1.06448154"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a3" order="S"/>
                                 <bond atomRefs2="a1 a2" 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.288452160145</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">4</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.0832821"
                                       y3="-0.0185869"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.22724763"
                                       y3="0.02871239"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="0.92380419"
                                       y3="0.99715151"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.47194559"
                                       y3="-1.07292248"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a3" order="S"/>
                                 <bond atomRefs2="a1 a2" 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.295492329557</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">5</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.08930714"
                                       y3="-0.0221688"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.22447715"
                                       y3="0.0321683"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="1.02090045"
                                       y3="0.99736641"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.45333311"
                                       y3="-1.08533617"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a2" 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.305334239766</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">6</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.09469398"
                                       y3="-0.02535376"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.22104193"
                                       y3="0.03488306"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="1.11669754"
                                       y3="1.00544898"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.43047067"
                                       y3="-1.09858109"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a2" 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.314131346083</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">7</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.09933848"
                                       y3="-0.0281484"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.21683168"
                                       y3="0.03764817"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="1.21157791"
                                       y3="1.00754316"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.40323002"
                                       y3="-1.1112843"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a2" 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.321136202532</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">8</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.10304273"
                                       y3="-0.03014688"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.21163237"
                                       y3="0.04000492"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="1.3039347"
                                       y3="1.00738513"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.36896407"
                                       y3="-1.12473402"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a2" 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.326056511608</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">9</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.1061443"
                                       y3="-0.0318373"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.20584653"
                                       y3="0.04295378"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="1.39360644"
                                       y3="0.99255745"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.32988057"
                                       y3="-1.13657941"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a2" 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.328778029851</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">10</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.10715021"
                                       y3="-0.03102507"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.19804837"
                                       y3="0.04344816"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="1.47308756"
                                       y3="0.99012004"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.27362195"
                                       y3="-1.15165914"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a2" 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.329300260895</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">11</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.10587278"
                                       y3="-0.03144874"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.19877943"
                                       y3="0.04371727"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="1.45513816"
                                       y3="0.98268994"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.28248516"
                                       y3="-1.14345556"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a2" 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.329481913711</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">12</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.10585035"
                                       y3="-0.03143372"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.19884225"
                                       y3="0.04366246"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="1.45439777"
                                       y3="0.98335956"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.28300886"
                                       y3="-1.14343402"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a2" 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.329482198186</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                  </module>
                  <module cmlx:templateRef="irc-opt">
                     <module cmlx:templateRef="final-geometry">
                        <scalar cmlx:templateRef="symmetry-group"
                                dataType="xsd:string"
                                dictRef="cc:pointgroup">Cs</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.10586326"
                                       y3="-0.03140244"
                                       z3="0.00000193">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.19883862"
                                       y3="0.04366057"
                                       z3="0.00000275">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="1.45437551"
                                       y3="0.98331998"
                                       z3="-0.00000254">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.28297005"
                                       y3="-1.14342382"
                                       z3="-0.00000214">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a2" 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.329482200635</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">0.000000193697 -0.000008160355 0.000000319718 -0.000000899322 0.000009414823 0.000000457425 -0.000012958735 0.000009582192 -0.000000422429 0.000013664360 -0.000010836660 -0.000000354714</array>
                        <array cmlx:templateRef="hess"
                               dataType="xsd:double"
                               dictRef="cc:hessianmatrix"
                               size="78">0.521367435 0.042022237 0.377217978 0.000000531 0.000000754 0.014627004 -0.457777150 -0.015071529 -0.000000485 0.535884039 -0.009023366 -0.099052235 0.000000126 0.127500847 0.567046197 0.000000016 -0.000000098 0.020877396 -0.000000611 -0.000002337 -0.024571457 -0.050216204 0.000000027 -0.053498331 -0.059005801 -0.005700056 0.001220446 -0.000000145 -0.099656328 -0.464483321 -0.000000225 0.000000074 -0.019307306 0.000000881 0.000002335 -0.039018828 0.023265496 -0.000000072 -0.024608558 -0.059471680 -0.027298814 -0.279386189 -0.000000735 -0.012772991 -0.003510641 -0.000000321 -0.000000730 -0.016197094 0.000000215 -0.000000123 0.029770521 0.000000560 0.087113625 0.000002280 0.109900159 0.458797625 -0.027516586 -0.000000582 -0.000002251 0.025432451 0.000000036 -0.009043838 -0.004543775 -0.000000074 0.072671224 0.000000155 -0.000678155 0.004465249 -0.000000157 0.040749960 -0.023131330 -0.000000005 0.000000117 0.021391441 0.000000111 0.278431580 0.000000736 0.017936983</array>
                        <array cmlx:templateRef="normal-mode-eigvals"
                               dataType="xsd:double"
                               dictRef="cc:eigenval"
                               size="6">0.046142489 0.055847705 0.071732015 0.085129563 0.306428633 0.514813619</array>
                     </module>
                     <module cmlx:templateRef="frequencies">
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule-rot">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="0.73209986"
                                       y3="0.12522804"
                                       z3="-0.00000031">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="-0.55776843"
                                       y3="-0.08482246"
                                       z3="-0.00000033">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="-1.01125905"
                                       y3="0.77692297"
                                       z3="0.00000481">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="1.14646119"
                                       y3="-0.92179778"
                                       z3="0.00000403">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a2" 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 cmlx:templateRef="freq-block">
                           <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">1104.21793079 1214.80606311 1376.76812203 1499.83846446 2845.56792792 3688.32599299</array>
                           <array dataType="xsd:double" dictRef="cc:redmass" size="6">1.07444325 1.10855161 9.16663041 1.21616437 1.08361323 1.06638472</array>
                           <array dataType="xsd:double" dictRef="cc:displacement" size="72">-0.0000011314 0.0000000918 0.0486065883 0.0000017300 0.0000002012 0.0520788585 -0.0000082171 -0.0000003754 -0.7639578992 -0.0000057672 -0.0000039099 -0.6413216979 -0.0071844267 -0.0023880824 0.0000010777 -0.0735601166 -0.0356056018 0.0000002033 0.7273768267 0.3734983642 -0.0000078055 0.5256193439 0.2200228633 -0.0000082534 -0.6639082453 -0.0970575902 -0.0000004871 0.4594775206 0.0554749072 -0.0000009658 0.5391777694 0.1093051989 0.0000118689 0.0736222827 0.1659158654 0.0000092594 0.0109433849 0.1039225871 -0.0000000990 0.0100931460 -0.0760948972 -0.0000000259 0.5092199094 0.1899773300 0.0000009552 -0.7997064696 -0.2196845323 0.0000006350 -0.0289021714 0.0778026394 -0.0000002806 -0.0015178547 -0.0014866463 0.0000000297 -0.0049773884 0.0209881333 -0.0000004701 0.3732000476 -0.9237766766 0.0000033397 0.0012443604 -0.0017235250 0.0000000253 0.0280263616 -0.0558439896 -0.0000003201 -0.4593048161 0.8858274828 0.0000050483 -0.0003102672 0.0209788741 -0.0000002693</array>
                        </module>
                        <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>
                           <list cmlx:templateRef="state"/>
                           <scalar cmlx:templateRef="energy"
                                   dataType="xsd:double"
                                   dictRef="cc:energy"
                                   units="nonsi:hartree">-114.329482200635</scalar>
                           <scalar cmlx:templateRef="zpe"
                                   dataType="xsd:double"
                                   dictRef="cc:zpe.correction"
                                   units="nonsi:hartree">0.026721822164</scalar>
                           <scalar cmlx:templateRef="elec-zpe"
                                   dataType="xsd:double"
                                   dictRef="cc:zpe.sumelectzpe"
                                   units="nonsi:hartree">-114.302760378471</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">0.026775241381</scalar>
                           <scalar cmlx:templateRef="enthalpy-corr"
                                   dataType="xsd:double"
                                   dictRef="cc:zpe.thermalcorrenthalpy"
                                   units="nonsi:hartree">0.030551979658</scalar>
                           <scalar cmlx:templateRef="enthalpy"
                                   dataType="xsd:double"
                                   dictRef="cc:zpe.sumelectthermalent"
                                   units="nonsi:hartree">-114.298930220977</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">0.000027877817</scalar>
                           <scalar dataType="xsd:integer"
                                   dictRef="cc:symmnumber"
                                   units="nonsi2:hartree.K-1">1</scalar>
                           <list cmlx:templateRef="entropy-rot"/>
                           <scalar cmlx:templateRef="entropy-vib"
                                   dataType="xsd:double"
                                   dictRef="cc:s.vib"
                                   units="nonsi2:hartree.K-1">0.000000210015</scalar>
                           <scalar cmlx:templateRef="gibbs-corr"
                                   dataType="xsd:double"
                                   dictRef="cc:zpe.thermalcorrgfe"
                                   units="nonsi:hartree">0.005011074569</scalar>
                           <scalar cmlx:templateRef="gibbs"
                                   dataType="xsd:double"
                                   dictRef="cc:zpe.sumelectthermalfe"
                                   units="nonsi:hartree">-114.324471126066</scalar>
                        </module>
                     </module>
                  </module>
               </module>
               <module cmlx:templateRef="irc-path">
                  <scalar cmlx:templateRef="direction"
                          dataType="xsd:string"
                          dictRef="g:ircDirection">BACKWARD</scalar>
                  <module cmlx:templateRef="irc-iteration">
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">1</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.05724642"
                                       y3="-0.00429822"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.23485018"
                                       y3="0.01198562"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="0.54812096"
                                       y3="1.04782019"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.52692261"
                                       y3="-1.02825794"
                                       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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.279689146250</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">2</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.04992709"
                                       y3="-0.00074937"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.23626744"
                                       y3="0.00748961"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="0.45162753"
                                       y3="1.06472455"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.54007212"
                                       y3="-1.01606297"
                                       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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.289141566899</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">3</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.04205216"
                                       y3="0.00262872"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.23725926"
                                       y3="0.00303766"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="0.35535376"
                                       y3="1.08164663"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.5533048"
                                       y3="-1.00255166"
                                       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"/>
                              </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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.303545345375</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">4</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.03355112"
                                       y3="0.00587067"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.23778477"
                                       y3="-0.00132805"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="0.25928775"
                                       y3="1.09731652"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.56679932"
                                       y3="-0.98753598"
                                       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"/>
                              </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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.321026325553</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">5</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.02438418"
                                       y3="0.00905042"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.23782751"
                                       y3="-0.00560018"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="0.16325004"
                                       y3="1.11067929"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.58058916"
                                       y3="-0.97095775"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a2" order="S"/>
                                 <bond atomRefs2="a1 a4" order="S"/>
                                 <bond atomRefs2="a1 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.339748101975</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">6</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.01459166"
                                       y3="0.01230731"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.23740944"
                                       y3="-0.009783"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="0.06724293"
                                       y3="1.12029862"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.59454482"
                                       y3="-0.95297172"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a2" order="S"/>
                                 <bond atomRefs2="a1 a4" order="S"/>
                                 <bond atomRefs2="a1 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.358149699116</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">7</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="-0.00428116"
                                       y3="0.01584254"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.23660442"
                                       y3="-0.01391216"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="-0.02886341"
                                       y3="1.12458816"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.60842753"
                                       y3="-0.93382189"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a2" order="S"/>
                                 <bond atomRefs2="a1 a4" order="S"/>
                                 <bond atomRefs2="a1 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.375069951316</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">8</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="0.00630925"
                                       y3="0.01987711"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.23554693"
                                       y3="-0.01803499"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="-0.12480789"
                                       y3="1.1220362"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.62179816"
                                       y3="-0.91387668"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a2" order="S"/>
                                 <bond atomRefs2="a1 a4" order="S"/>
                                 <bond atomRefs2="a1 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.389614689897</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">9</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="0.01680154"
                                       y3="0.02466089"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.23445128"
                                       y3="-0.02222507"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="-0.22015211"
                                       y3="1.11137115"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.63399515"
                                       y3="-0.89367167"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a2" order="S"/>
                                 <bond atomRefs2="a1 a4" order="S"/>
                                 <bond atomRefs2="a1 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.401158604853</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">10</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="0.02660123"
                                       y3="0.03051387"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.23366113"
                                       y3="-0.02660274"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="-0.314331"
                                       y3="1.09168423"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.64395922"
                                       y3="-0.87419832"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a2" order="S"/>
                                 <bond atomRefs2="a1 a4" order="S"/>
                                 <bond atomRefs2="a1 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.409331913616</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">11</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="0.03463808"
                                       y3="0.03717019"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.23363682"
                                       y3="-0.03138193"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="-0.407689"
                                       y3="1.06737568"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.64590876"
                                       y3="-0.85329629"
                                       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"/>
                              </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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.414027439867</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">12</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="0.03924806"
                                       y3="0.04706539"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.23486346"
                                       y3="-0.03723683"
                                       z3="-0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="-0.49429198"
                                       y3="1.0380357"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.63366373"
                                       y3="-0.84885527"
                                       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"/>
                              </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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.415482995428</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                     <module cmlx:templateRef="irc-step">
                        <scalar cmlx:templateRef="step" dataType="xsd:integer" dictRef="g:ircStep">13</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="0.03854925"
                                       y3="0.04813566"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.23528735"
                                       y3="-0.0376537"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="-0.4955408"
                                       y3="1.03398946"
                                       z3="0.0000">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.6308217"
                                       y3="-0.85093654"
                                       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"/>
                              </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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.415498229997</scalar>
                        <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
                     </module>
                  </module>
                  <module cmlx:templateRef="irc-opt">
                     <module cmlx:templateRef="final-geometry">
                        <scalar cmlx:templateRef="symmetry-group"
                                dataType="xsd:string"
                                dictRef="cc:pointgroup">C2v</scalar>
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="0.03879554"
                                       y3="0.04824403"
                                       z3="-0.00000332">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="1.23538738"
                                       y3="-0.03766938"
                                       z3="0.00000115">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="-0.49569717"
                                       y3="1.03372893"
                                       z3="0.00000111">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="-0.63101164"
                                       y3="-0.85076869"
                                       z3="0.00000105">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a2" order="S"/>
                                 <bond atomRefs2="a1 a4" order="S"/>
                                 <bond atomRefs2="a1 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>
                        <scalar cmlx:templateRef="energy"
                                dataType="xsd:double"
                                dictRef="cc:energy"
                                units="nonsi:hartree">-114.415498341989</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">0.000015113683 -0.000000591686 -0.000001452278 -0.000010607639 0.000000671862 0.000000485619 -0.000002001908 -0.000001225219 0.000000483401 -0.000002504137 0.000001145042 0.000000483258</array>
                        <array cmlx:templateRef="hess"
                               dataType="xsd:double"
                               dictRef="cc:hessianmatrix"
                               size="78">1.032037810 -0.032872836 0.575156623 0.000001450 -0.000000094 0.173870177 -0.834563000 0.052130461 -0.000002310 0.917403881 0.052130239 -0.112318171 0.000000165 -0.060527806 0.078735602 -0.000002605 0.000000187 -0.058167565 0.000002703 -0.000000193 -0.087700147 0.069002652 0.000000393 -0.037477754 0.040196540 0.064173457 -0.242362673 -0.000000553 0.022880673 0.012832506 0.000000512 -0.000000975 -0.057860468 -0.000000187 0.000000133 -0.109774668 -0.088260277 0.000000467 -0.045363126 -0.031798974 -0.083430860 -0.220475779 0.000000482 -0.014483329 0.020750063 0.000000644 0.000000882 -0.057842144 -0.000000206 -0.000000105 0.019425482 -0.000000048 0.115444113 -0.000000004 -0.096143591 0.247291371 0.019372049 -0.000000327 0.000000700 0.019240371 -0.000000050 0.009733788 0.009089461 0.000000003 0.145404006 0.000000011 -0.013055602 -0.017761204 0.000000141 0.110969790 0.019370035 -0.000000018 -0.000000143 0.019248048 -0.000000420 0.217486920 -0.000000634 0.019224061</array>
                        <array cmlx:templateRef="normal-mode-eigvals"
                               dataType="xsd:double"
                               dictRef="cc:eigenval"
                               size="6">0.053881038 0.060613094 0.088639287 0.131503397 0.311243604 0.324214302</array>
                     </module>
                     <module cmlx:templateRef="frequencies">
                        <module cmlx:templateRef="molecule">
                           <molecule cmlx:templateRef="atom" id="molecule-rot">
                              <atomArray>
                                 <atom elementType="C"
                                       id="a1"
                                       x3="0.59884926"
                                       y3="-0.00000001"
                                       z3="-0.00000119">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                                 </atom>
                                 <atom elementType="O"
                                       id="a2"
                                       x3="-0.60082284"
                                       y3="0.00000037"
                                       z3="0.0000003">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a3"
                                       x3="1.2025439"
                                       y3="-0.94467759"
                                       z3="0.00000471">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                                 <atom elementType="H"
                                       id="a4"
                                       x3="1.20255498"
                                       y3="0.94467185"
                                       z3="0.00000471">
                                    <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                                 </atom>
                              </atomArray>
                              <bondArray>
                                 <bond atomRefs2="a1 a2" order="S"/>
                                 <bond atomRefs2="a1 a4" order="S"/>
                                 <bond atomRefs2="a1 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 cmlx:templateRef="freq-block">
                           <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">1193.22477043 1265.57390462 1530.44389075 1864.11530287 2867.83726279 2926.98414673</array>
                           <array dataType="xsd:double" dictRef="cc:redmass" size="6">1.37588941 1.35149912 1.09889457 7.59749565 1.04667430 1.12074650</array>
                           <array dataType="xsd:double" dictRef="cc:displacement" size="72">-0.0000007338 0.0000000066 0.1755920871 -0.0000002486 -0.0000000038 -0.0441001612 0.0000063085 0.0000000102 -0.6954197041 0.0000063739 -0.0000000283 -0.6954236333 0.0000071886 0.1497849136 -0.0000000081 -0.0000002829 -0.0804746476 0.0000000021 -0.6492448766 -0.2531585295 0.0000026174 0.6491637731 -0.2531137206 -0.0000025532 -0.0020209974 -0.0000161005 0.0000007815 0.0779328977 0.0000039633 -0.0000000107 -0.6063952299 -0.3594457068 -0.0000045681 -0.6063927424 0.3595745120 -0.0000045672 -0.5952229144 0.0000240557 -0.0000001842 0.4240732035 -0.0000056294 -0.0000003770 0.1784435720 0.4483400097 0.0000040888 0.1784242177 -0.4485370949 0.0000040875 0.0594377197 -0.0007379966 0.0000004553 0.0008026672 0.0000062691 0.0000000334 -0.3629349649 0.6113392495 -0.0000030030 -0.3575186924 -0.6026515464 -0.0000029487 -0.0004751372 -0.1013492928 -0.0000000043 -0.0000045484 0.0008523426 -0.0000000001 -0.3698136090 0.5919219321 -0.0000037080 0.3755431725 0.6012994387 0.0000037610</array>
                        </module>
                        <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>
                           <list cmlx:templateRef="state"/>
                           <scalar cmlx:templateRef="energy"
                                   dataType="xsd:double"
                                   dictRef="cc:energy"
                                   units="nonsi:hartree">-114.415498341989</scalar>
                           <scalar cmlx:templateRef="zpe"
                                   dataType="xsd:double"
                                   dictRef="cc:zpe.correction"
                                   units="nonsi:hartree">0.026536504116</scalar>
                           <scalar cmlx:templateRef="elec-zpe"
                                   dataType="xsd:double"
                                   dictRef="cc:zpe.sumelectzpe"
                                   units="nonsi:hartree">-114.388961837873</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">0.026571988537</scalar>
                           <scalar cmlx:templateRef="enthalpy-corr"
                                   dataType="xsd:double"
                                   dictRef="cc:zpe.thermalcorrenthalpy"
                                   units="nonsi:hartree">0.030348726814</scalar>
                           <scalar cmlx:templateRef="enthalpy"
                                   dataType="xsd:double"
                                   dictRef="cc:zpe.sumelectthermalent"
                                   units="nonsi:hartree">-114.385149615175</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">0.000025541578</scalar>
                           <scalar dataType="xsd:integer"
                                   dictRef="cc:symmnumber"
                                   units="nonsi2:hartree.K-1">2</scalar>
                           <list cmlx:templateRef="entropy-rot"/>
                           <scalar cmlx:templateRef="entropy-vib"
                                   dataType="xsd:double"
                                   dictRef="cc:s.vib"
                                   units="nonsi2:hartree.K-1">0.000000138469</scalar>
                           <scalar cmlx:templateRef="gibbs-corr"
                                   dataType="xsd:double"
                                   dictRef="cc:zpe.thermalcorrgfe"
                                   units="nonsi:hartree">0.005525702833</scalar>
                           <scalar cmlx:templateRef="gibbs"
                                   dataType="xsd:double"
                                   dictRef="cc:zpe.sumelectthermalfe"
                                   units="nonsi:hartree">-114.409972639156</scalar>
                        </module>
                     </module>
                  </module>
               </module>
            </module>
         </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>
                     <list cmlx:templateRef="state"/>
                     <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>
                     <list cmlx:templateRef="entropy-rot"/>
                     <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="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 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>
