<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        id="grrm.input">
   <module cmlx:templateRef="job">
      <module cmlx:templateRef="input-desc">
         <list cmlx:templateRef="method">
            <scalar dataType="xsd:string" dictRef="cc:jobtype">SC-AFIR2</scalar>
            <scalar dataType="xsd:string" dictRef="cc:method">B3LYP</scalar>
            <scalar dataType="xsd:string" dictRef="cc:basis">Def2SVP</scalar>
         </list>
         <list cmlx:templateRef="charge-mult">
            <scalar dataType="xsd:integer" dictRef="cc:charge">0</scalar>
            <scalar dataType="xsd:integer" dictRef="cc:multiplicity">1</scalar>
         </list>
         <module cmlx:templateRef="input-coordinates">
            <molecule cmlx:templateRef="input" id="molecule">
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="0.0519116"
                        y3="-0.0000"
                        z3="0.0000">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="O"
                        id="a2"
                        x3="1.25159806"
                        y3="0.0000"
                        z3="-0.0000">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                  </atom>
                  <atom elementType="H"
                        id="a3"
                        x3="-0.55175483"
                        y3="0.94469687"
                        z3="-0.0000">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H"
                        id="a4"
                        x3="-0.55175483"
                        y3="-0.94469687"
                        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>
      </module>
   </module>
</module>
