MESMER input file for the HNSO2 + H2O reaction without and with X (X = H2O, (H2O)2, NH3, CH3NH2,HCOOH, H2SO4, H2SO4-H2O, and (H2SO4)2)

Channel R1 (HNSO2 + H2O → NH2SO3H)
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<me:mesmer xmlns="http://www.xml-cml.org/schema" xmlns:me="http://www.chem.leeds.ac.uk/mesmer" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
  <me:title>HNSO2_H2O_NH2SO3H</me:title>
  <moleculeList convention="">
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        <atom id="a1" elementType="N" />
        <atom id="a2" elementType="N" />
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          <scalar units="amu">28.0</scalar>
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      <metadata name="copiedFrom" content="C:\Mesmer-6.0/librarymols.xml" timestamp="20210327_103644" />
    </molecule>
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          <scalar>Gaussian 09, Revision D.01</scalar>
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        <property title="File Format">
          <scalar>g03</scalar>
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        <property title="MW">
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          <scalar units="kcal/mol">0.0</scalar>
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        <property title="SpinMultiplicity" dictRef="me:spinMultiplicity">
          <scalar>1.00</scalar>
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        <property title="Vibrational Frequencies" dictRef="me:vibFreqs">
          <array units="cm-1">473.44 479.68 532.85 675.70 1019.91 1091.99 1355.02 1442.26 3526.62</array>
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          <array units="cm-1">0.33977 0.33032 0.16749</array>
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          <scalar>1</scalar>
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          <scalar>289.3</scalar>
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        <property dictRef="me:frequenciesScaleFactor" default="true">
          <scalar>1</scalar>
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      <me:deltaEDown>150.0</me:deltaEDown>
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        <bond atomRefs2="a6 a8" order="1" />
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      <propertyList>
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          <scalar>Gaussian 09, Revision D.01</scalar>
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        <property title="basis">
          <scalar>6-311+G(2df,2pd) (5D, 7F)</scalar>
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        <property title="File Format">
          <scalar>g03</scalar>
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      <propertyList>
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        </property>
        <property title="basis">
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        </property>
        <property title="File Format">
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        <property title="Energy" dictRef="me:ZPE">
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        </property>
        <property title="SpinMultiplicity" dictRef="me:spinMultiplicity">
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        </property>
        <property title="Vibrational Frequencies" dictRef="me:vibFreqs">
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        </property>
        <property title="Rotational Constants" dictRef="me:rotConsts">
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        <property title="Symmetry Number" dictRef="me:symmetryNumber">
          <scalar>1</scalar>
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        <property dictRef="me:sigma" default="true">
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        <property dictRef="me:epsilon" default="true">
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        <property dictRef="me:frequenciesScaleFactor" default="true">
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      <me:deltaEDown default="NEEDS TO BE CHECKED**">150.0</me:deltaEDown>
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        <property title="program">
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        </property>
        <property title="basis">
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        </property>
        <property title="File Format">
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        </property>
        <property title="MW">
          <scalar>18.01056</scalar>
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        <property title="Energy" dictRef="me:ZPE">
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        <property title="Vibrational Frequencies" dictRef="me:vibFreqs">
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        </property>
        <property title="Rotational Constants" dictRef="me:rotConsts">
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        </property>
        <property title="Symmetry Number" dictRef="me:symmetryNumber">
          <scalar>2</scalar>
        </property>
        <property dictRef="me:frequenciesScaleFactor" default="true">
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      <propertyList>
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          <scalar>Gaussian 09, Revision D.01</scalar>
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        </property>
        <property title="File Format">
          <scalar>g03</scalar>
        </property>
        <property title="MW">
          <scalar>96.98336</scalar>
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        <property title="Energy" dictRef="me:ZPE">
          <scalar units="kcal/mol">20.6</scalar>
        </property>
        <property title="SpinMultiplicity" dictRef="me:spinMultiplicity">
          <scalar>1.00</scalar>
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        <property title="Hessian" dictRef="me:hessian">
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        <property title="ImaginaryFrequency" dictRef="me:imFreqs">
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        <property title="Rotational Constants" dictRef="me:rotConsts">
          <array units="cm-1">0.17632 0.14976 0.14311</array>
        </property>
        <property title="Symmetry Number" dictRef="me:symmetryNumber">
          <scalar>1</scalar>
        </property>
        <property dictRef="me:frequenciesScaleFactor" default="true">
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  <reactionList>
    <reaction id="R1" reversible="true">
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        </reactant>
        <reactant>
          <molecule ref="H2O" role="excessReactant" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IM" role="modelled" />
        </product>
      </productList>
      <me:MCRCMethod xsi:type="me:MesmerILT">
        <me:preExponential units="cm3molecule-1s-1">5.5e-13</me:preExponential>
        <me:activationEnergy units="kcal/mol">0.0</me:activationEnergy>
        <me:TInfinity>298.0</me:TInfinity>
        <me:nInfinity>-0.5</me:nInfinity>
      </me:MCRCMethod>
      <me:excessReactantConc>3.0E8</me:excessReactantConc>
      <me:TInfinity default="true">298</me:TInfinity>
    </reaction>
    <reaction id="R2">
      <reactantList>
        <reactant>
          <molecule ref="IM" role="modelled" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IMF" role="modelled" />
        </product>
      </productList>
      <me:transitionState>
        <molecule ref="TS" role="transitionState" />
      </me:transitionState>
      <me:tunneling name="Eckart" />
      <me:MCRCMethod name="simpleRRKM" />
    </reaction>
  </reactionList>
  <me:conditions>
    <me:bathGas>N2</me:bathGas>
    <me:PTs>
      <!--Stan-->
      <me:PTpair units="Torr" P= "760" T= "280" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.22E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "290" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.12E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "298" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.38E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "300" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.38E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "310" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "320" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
    </me:PTs>
  </me:conditions>
  <me:modelParameters>
    <!--Specify grain size directly...-->
    <me:grainSize units="cm-1">100</me:grainSize>
    <!--...or by the total number of grains
        <me:numberOfGrains> 500 </me:numberOfGrains>-->
    <!--Specify increased energy range
        <me:maxTemperature>1000</me:maxTemperature>-->
    <me:energyAboveTheTopHill>25.0</me:energyAboveTheTopHill>
  </me:modelParameters>
  <me:control>
    <me:testDOS />
    <me:printSpeciesProfile />
    <me:testMicroRates Tstep="1" default="true" Tmin="200" Tmax="400" />
    <me:testRateConstant />
    <me:printGrainDOS />
    <!--<me:printCellDOS />-->
    <!--<me:printReactionOperatorColumnSums />-->
    <!--<me:printTunnellingCoefficients />-->
    <me:printGrainkfE />
    <!--<me:printGrainBoltzmann />-->
    <me:printGrainkbE />
    <me:eigenvalues>0</me:eigenvalues>
    <!-- <me:hideInactive/>  Molecules and reactions with attribute active="false" are not shown-->
    <me:diagramEnergyOffset>0</me:diagramEnergyOffset>
    <!--Adjusts displayed energies to this values for the lowest species. -->
    <me:calcMethod default="true" name="simpleCalc" />
    <me:ForceMacroDetailedBalance default="true">true</me:ForceMacroDetailedBalance>
  </me:control>
  <metadataList xmlns:dc="http://purl.org/dc/elements/1.1/">
    <dc:title>Project name</dc:title>
    <dc:source>HNSO2_H2O_NH2SO3H.xml</dc:source>
    <dc:creator>Mesmer v6.0</dc:creator>
    <dc:date>20210327_111003</dc:date>
    <dc:contributor>Bala</dc:contributor>
  </metadataList>
</me:mesmer> 

Channel WM (HNSO2-H2O + H2O → NH2SO3H + H2O)
<?xml version="1.0" encoding="utf-8" ?>
<?xml-stylesheet type='text/xsl' href='../../mesmer2.xsl' media='other'?>
<?xml-stylesheet type='text/xsl' href='../../mesmer1.xsl' media='screen'?>
<me:mesmer xmlns="http://www.xml-cml.org/schema" xmlns:me="http://www.chem.leeds.ac.uk/mesmer" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
  <me:title>HNSO2-H2O_H2O_NH2SO3H_H2O</me:title>
  <moleculeList convention="">
    <molecule id="N2">
      <atomArray>
        <atom id="a1" elementType="N" />
        <atom id="a2" elementType="N" />
      </atomArray>
      <bondArray>
        <bond atomRefs2="a2 a1" order="3" />
      </bondArray>
      <propertyList>
        <property dictRef="me:epsilon">
          <scalar>48.0</scalar>
        </property>
        <property dictRef="me:sigma">
          <scalar>3.90</scalar>
        </property>
        <property dictRef="me:MW">
          <scalar units="amu">28.0</scalar>
        </property>
      </propertyList>
      <metadata name="copiedFrom" content="C:\Mesmer-6.0/librarymols.xml" timestamp="20210327_103644" />
    </molecule>
    <molecule id="HNSO2-H2O" spinMultiplicity="1">
      <atomArray>
         <atom id="a1" elementType="S" x3="-0.51069900" y3="-0.05265500" z3="0.03102800" />
        <atom id="a2" elementType="O"  x3="-0.57652300" y3="-1.12475800" z3="-0.89652200" />
        <atom id="a3" elementType="O" x3="-0.28746500" y3="-0.30989200" z3="1.41861100" />
        <atom id="a4" elementType="N" x3="-0.80105300" y3="1.32091400" z3="-0.49000100" />
        <atom id="a5" elementType="H" x3="-0.74728300" y3="1.98936400" z3="0.27500300" />
        <atom id="a6" elementType="O" x3="2.05517400" y3="0.04392900" z3="-0.18461200" />
        <atom id="a7" elementType="H" x3="2.48181900" y3="0.03544600" z3="0.67502400" />
        <atom id="a8" elementType="H" x3="2.51453400" y3="0.69704300" z3="-0.71627700" />
      </atomArray>
      <bondArray>
        <bond id="b1" atomRefs2="a1 a2" order="2" />
        <bond id="b2" atomRefs2="a1 a3" order="2" />
        <bond id="b3" atomRefs2="a1 a4" order="2" />
        <bond id="b4" atomRefs2="a4 a5" order="1" />
        <bond id="b5" atomRefs2="a6 a7" order="1" />
        <bond id="b6" atomRefs2="a6 a8" order="1" />
      </bondArray>
      <propertyList>
        <property title="program">
          <scalar>Gaussian 09, Revision D.01</scalar>
        </property>
        <property title="basis">
          <scalar>6-311+G(2df,2pd) (5D, 7F)</scalar>
        </property>
        <property title="File Format">
          <scalar>g03</scalar>
        </property>
        <property title="MW">
          <scalar>96.98336</scalar>
        </property>
        <property title="Energy" dictRef="me:ZPE">
          <scalar units="kcal/mol">-4.3</scalar>
        </property>
        <property title="SpinMultiplicity" dictRef="me:spinMultiplicity">
          <scalar>1.00</scalar>
        </property>
        <property title="Vibrational Frequencies" dictRef="me:vibFreqs">
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        </property>
        <property title="Rotational Constants" dictRef="me:rotConsts">
          <array units="cm-1">0.16736     0.10914     0.10864</array>
        </property>
        <property title="Symmetry Number" dictRef="me:symmetryNumber">
          <scalar>1</scalar>
        </property>
        <property dictRef="me:sigma" default="true">
          <scalar>4.196</scalar>
        </property>
        <property dictRef="me:epsilon" default="true">
          <scalar>289.3</scalar>
        </property>
        <property dictRef="me:frequenciesScaleFactor" default="true">
          <scalar>1</scalar>
        </property>
        <property title="Hessian" dictRef="me:hessian">
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        </property>
      </propertyList>
      <me:DOSCMethod name="ClassicalRotors" />
      <me:DistributionCalcMethod name="Boltzmann" />
      <me:energyTransferModel name="ExponentialDown" />
      <me:deltaEDown>150.0</me:deltaEDown>
    </molecule>
    <molecule id="IM" spinMultiplicity="1">
      <atomArray>
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        <atom id="a7" elementType="H" x3="2.56832000" y3="-0.44130700" z3="0.90500400" />
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        <atom id="a11" elementType="H" x3="0.34687200" y3="2.20863000" z3="0.20866500" />
      </atomArray>
      <bondArray>
        <bond atomRefs2="a1 a2" order="2" />
        <bond atomRefs2="a1 a3" order="2" />
        <bond atomRefs2="a1 a4" order="2" />
        <bond atomRefs2="a4 a5" order="1" />
        <bond atomRefs2="a8 a6" order="1" />
        <bond atomRefs2="a8 a7" order="1" />
        <bond atomRefs2="a10 a9" order="1" />
        <bond atomRefs2="a10 a11" order="1" />
      </bondArray>
      <propertyList>
        <property title="program">
          <scalar>Gaussian 09, Revision D.01</scalar>
        </property>
        <property title="basis">
          <scalar>6-311+G(2df,2pd) (5D, 7F)</scalar>
        </property>
        <property title="File Format">
          <scalar>g03</scalar>
        </property>
        <property title="MW">
          <scalar>114.99393</scalar>
        </property>
        <property title="Energy" dictRef="me:ZPE">
          <scalar units="kcal/mol">-11.9</scalar>
        </property>
        <property title="SpinMultiplicity" dictRef="me:spinMultiplicity">
          <scalar>1.00</scalar>
        </property>
        <property title="Vibrational Frequencies" dictRef="me:vibFreqs">
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        </property>
        <property title="Rotational Constants" dictRef="me:rotConsts">
          <array units="cm-1">0.13722 0.06726 0.06212</array>
        </property>
        <property title="Symmetry Number" dictRef="me:symmetryNumber">
          <scalar>1</scalar>
        </property>
        <property dictRef="me:sigma" default="true">
          <scalar>5.4</scalar>
        </property>
        <property dictRef="me:epsilon" default="true">
          <scalar>584</scalar>
        </property>
        <property dictRef="me:frequenciesScaleFactor" default="true">
          <scalar>1</scalar>
        </property>
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         </property>
        <property title="Vibrational Frequencies" dictRef="me:vibFreqs">
          <array units="cm-1">76.93 281.79 319.86 401.64 462.65 500.01 514.86 534.35 579.74 602.55 655.70 697.82 718.82 991.05 1059.12 1123.58 1212.29 1277.93 1423.21 1468.58 1612.32 1827.62 2368.76 3571.06 3847.78 3891.61</array>
        </property>
        <property title="ImaginaryFrequency" dictRef="me:imFreqs">
          <scalar units="cm-1">941.25</scalar>
        </property>
        <property title="Rotational Constants" dictRef="me:rotConsts">
          <array units="cm-1">0.15554     0.07351     0.07111</array>
        </property>
        <property title="Symmetry Number" dictRef="me:symmetryNumber">
          <scalar>1</scalar>
        </property>
        <property dictRef="me:frequenciesScaleFactor" default="true">
          <scalar>1</scalar>
        </property>
      </propertyList>
      <me:DOSCMethod default="true" name="ClassicalRotors" />
    </molecule>
  </moleculeList>
  <reactionList>
    <reaction id="R1" reversible="true">
      <reactantList>
        <reactant>
          <molecule ref="HNSO2-H2O" role="deficientReactant" />
        </reactant>
        <reactant>
          <molecule ref="H2O" role="excessReactant" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IM" role="modelled" />
        </product>
      </productList>
      <me:MCRCMethod xsi:type="me:MesmerILT">
        <me:preExponential units="cm3molecule-1s-1">2.24e-16</me:preExponential>
        <me:activationEnergy units="kcal/mol">0.0</me:activationEnergy>
        <me:TInfinity>298.0</me:TInfinity>
        <me:nInfinity>-0.5</me:nInfinity>
      </me:MCRCMethod>
      <me:excessReactantConc>3.0E8</me:excessReactantConc>
      <me:TInfinity default="true">298</me:TInfinity>
    </reaction>
    <reaction id="R2">
      <reactantList>
        <reactant>
          <molecule ref="IM" role="modelled" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IMF" role="modelled" />
        </product>
      </productList>
      <me:transitionState>
        <molecule ref="TS" role="transitionState" />
      </me:transitionState>
      <me:tunneling name="Eckart" />
      <me:MCRCMethod name="simpleRRKM" />
    </reaction>
  </reactionList>
  <me:conditions>
    <me:bathGas>N2</me:bathGas>
    <me:PTs>
      <!--Stan-->
      <me:PTpair units="Torr" P= "760" T= "280" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2-H2O" ref2="HNSO2-H2O" refReaction="R1" error="0.22E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "290" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2-H2O" ref2="HNSO2-H2O" refReaction="R1" error="0.12E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "298" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2-H2O" ref2="HNSO2-H2O" refReaction="R1" error="0.38E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "300" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2-H2O" ref2="HNSO2-H2O" refReaction="R1" error="0.38E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "310" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2-H2O" ref2="HNSO2-H2O" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "320" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2-H2O" ref2="HNSO2-H2O" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
    </me:PTs>
  </me:conditions>
  <me:modelParameters>
    <!--Specify grain size directly...-->
    <me:grainSize units="cm-1">100</me:grainSize>
    <!--...or by the total number of grains
        <me:numberOfGrains> 500 </me:numberOfGrains>-->
    <!--Specify increased energy range
        <me:maxTemperature>1000</me:maxTemperature>-->
    <me:energyAboveTheTopHill>25.0</me:energyAboveTheTopHill>
  </me:modelParameters>
  <me:control>
    <me:testDOS />
    <me:printSpeciesProfile />
    <me:testMicroRates Tstep="1" default="true" Tmin="200" Tmax="400" />
    <me:testRateConstant />
    <me:printGrainDOS />
    <!--<me:printCellDOS />-->
    <!--<me:printReactionOperatorColumnSums />-->
    <!--<me:printTunnellingCoefficients />-->
    <me:printGrainkfE />
    <!--<me:printGrainBoltzmann />-->
    <me:printGrainkbE />
    <me:eigenvalues>0</me:eigenvalues>
    <!-- <me:hideInactive/>  Molecules and reactions with attribute active="false" are not shown-->
    <me:diagramEnergyOffset>0</me:diagramEnergyOffset>
    <!--Adjusts displayed energies to this values for the lowest species. -->
    <me:calcMethod default="true" name="simpleCalc" />
    <me:ForceMacroDetailedBalance default="true">true</me:ForceMacroDetailedBalance>
  </me:control>
  <metadataList xmlns:dc="http://purl.org/dc/elements/1.1/">
    <dc:title>Project name</dc:title>
    <dc:source>HNSO2-H2O_H2O_NH2SO3H_H2O.xml</dc:source>
    <dc:creator>Mesmer v6.0</dc:creator>
    <dc:date>20210327_111003</dc:date>
    <dc:contributor>Bala</dc:contributor>
  </metadataList>
</me:mesmer>
 
Channel WD (HNSO2-(H2O)2 + H2O → NH2SO3H + (H2O)2)
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<me:mesmer xmlns="http://www.xml-cml.org/schema" xmlns:me="http://www.chem.leeds.ac.uk/mesmer" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
  <me:title>HNSO2-(H2O)2_H2O_NH2SO3H_(H2O)2</me:title>
  <moleculeList convention="">
    <molecule id="N2">
      <atomArray>
        <atom id="a1" elementType="N" />
        <atom id="a2" elementType="N" />
      </atomArray>
      <bondArray>
        <bond atomRefs2="a2 a1" order="3" />
      </bondArray>
      <propertyList>
        <property dictRef="me:epsilon">
          <scalar>48.0</scalar>
        </property>
        <property dictRef="me:sigma">
          <scalar>3.90</scalar>
        </property>
        <property dictRef="me:MW">
          <scalar units="amu">28.0</scalar>
        </property>
      </propertyList>
      <metadata name="copiedFrom" content="C:\Mesmer-6.0/librarymols.xml" timestamp="20210327_103644" />
    </molecule>
    <molecule id="HNSO2" spinMultiplicity="1">
      <atomArray>
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2649.59
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3864.29
3884.78
3954.87 </array>
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      <propertyList>
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  2.30946553E-03  9.60039648E-03  1.50797963E-02</matrix>
         </property>
        <property title="Vibrational Frequencies" dictRef="me:vibFreqs">
          <array units="cm-1">62.49
90.29
144.43
247.09
309.89
324.55
332.13
396.40
475.84
491.50
501.67
526.15
536.88
570.50
582.20
653.59
710.92
828.97
939.74
998.35
1092.78
1125.83
1218.38
1276.14
1406.46
1539.64
1640.22
1687.86
1772.08
2668.89
3130.28
3567.70
3823.58
3850.62
3930.53
 </array>
        </property>
        <property title="ImaginaryFrequency" dictRef="me:imFreqs">
          <scalar units="cm-1">519.26</scalar>
        </property>
        <property title="Rotational Constants" dictRef="me:rotConsts">
          <array units="cm-1">0.10027  0.04949  0.04178</array>
        </property>
        <property title="Symmetry Number" dictRef="me:symmetryNumber">
          <scalar>1</scalar>
        </property>
        <property dictRef="me:frequenciesScaleFactor" default="true">
          <scalar>1</scalar>
        </property>
      </propertyList>
      <me:DOSCMethod default="true" name="ClassicalRotors" />
    </molecule>
  </moleculeList>
  <reactionList>
    <reaction id="R1" reversible="true">
      <reactantList>
        <reactant>
          <molecule ref="HNSO2" role="deficientReactant" />
        </reactant>
        <reactant>
          <molecule ref="3H2O" role="excessReactant" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="kuo-IM_WD1" role="modelled" />
        </product>
      </productList>
      <me:MCRCMethod xsi:type="me:MesmerILT">
        <me:preExponential units="cm3molecule-1s-1">1.03e-12</me:preExponential>
        <me:activationEnergy units="kcal/mol">0.0</me:activationEnergy>
        <me:TInfinity>150.0</me:TInfinity>
        <me:nInfinity>2.5</me:nInfinity>
      </me:MCRCMethod>
      <me:excessReactantConc>3.0E11</me:excessReactantConc>
      <me:TInfinity default="true">150</me:TInfinity>
    </reaction>
    <reaction id="R2">
      <reactantList>
        <reactant>
          <molecule ref="kuo-IM_WD1" role="modelled" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IM" role="modelled" />
        </product>
      </productList>
      <me:transitionState>
        <molecule ref="kuo-TS_WD1" role="transitionState" />
      </me:transitionState>
      <me:tunneling name="Eckart" />
      <me:MCRCMethod name="RRKM" />
    </reaction>
    <reaction id="R3">
      <reactantList>
        <reactant>
          <molecule ref="IM" role="modelled" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IMF" role="modelled" />
        </product>
      </productList>
      <me:transitionState>
        <molecule ref="TS" role="transitionState" />
      </me:transitionState>
      <me:tunneling name="Eckart" />
      <me:MCRCMethod name="RRKM" />
    </reaction>
  </reactionList>
  <me:conditions>
    <me:bathGas>N2</me:bathGas>
    <me:PTs>
      <!--Stan-->
      <me:PTpair units="Torr" P= "0.001" T= "280" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="kuo-IM_WD1" refReaction="R1" error="0.22E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "0.001" T= "290" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="kuo-IM_WD1" refReaction="R1" error="0.12E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "0.001" T= "298" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="kuo-IM_WD1" refReaction="R1" error="0.38E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "0.001" T= "300" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="kuo-IM_WD1" refReaction="R1" error="0.38E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "0.001" T= "310" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="kuo-IM_WD1" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "0.001" T= "320" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="kuo-IM_WD1" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
    </me:PTs>
  </me:conditions>
  <me:modelParameters>
    <!--Specify grain size directly...-->
    <me:grainSize units="cm-1">100</me:grainSize>
    <!--...or by the total number of grains
        <me:numberOfGrains> 500 </me:numberOfGrains>-->
    <!--Specify increased energy range
        <me:maxTemperature>1000</me:maxTemperature>-->
    <me:energyAboveTheTopHill>25.0</me:energyAboveTheTopHill>
  </me:modelParameters>
  <me:control>
    <me:testDOS />
    <me:printSpeciesProfile />
    <me:testMicroRates Tstep="1" default="true" Tmin="213" Tmax="320" />
    <me:testRateConstant />
    <me:printGrainDOS />
    <!--<me:printCellDOS />-->
    <!--<me:printReactionOperatorColumnSums />-->
    <!--<me:printTunnellingCoefficients />-->
    <me:printGrainkfE />
    <!--<me:printGrainBoltzmann />-->
    <me:printGrainkbE />
    <me:eigenvalues>0</me:eigenvalues>
    <!-- <me:hideInactive/>  Molecules and reactions with attribute active="false" are not shown-->
    <me:diagramEnergyOffset>0</me:diagramEnergyOffset>
    <!--Adjusts displayed energies to this values for the lowest species. -->
    <me:calcMethod default="true" name="simpleCalc" />
    <me:ForceMacroDetailedBalance default="true">true</me:ForceMacroDetailedBalance>
  </me:control>
  <metadataList xmlns:dc="http://purl.org/dc/elements/1.1/">
    <dc:title>Project name</dc:title>
    <dc:source>HNSO2-(H2O)2_H2O_NH2SO3H_(H2O)2.xml</dc:source>
    <dc:creator>Mesmer v6.0</dc:creator>
    <dc:date>20210327_111003</dc:date>
    <dc:contributor>Bala</dc:contributor>
  </metadataList>
</me:mesmer>

Channel WT_s ((H2O)4 + HNSO2 → NH2SO3H + (H2O)3)
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<me:mesmer xmlns="http://www.xml-cml.org/schema" xmlns:me="http://www.chem.leeds.ac.uk/mesmer" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
  <me:title>HNSO2_4H2O_NH2SO3H_3H2O</me:title>
  <moleculeList convention="">
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      <propertyList>
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        <property dictRef="me:sigma">
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        <property dictRef="me:MW">
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      <metadata name="copiedFrom" content="C:\Mesmer-6.0/librarymols.xml" timestamp="20210327_103644" />
    </molecule>
    <molecule id="HNSO2" spinMultiplicity="1">
      <atomArray>
        <atom id="a1" elementType="S" x3="0.02668400" y3="-0.00171700" z3="-0.00001100" />
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        <bond id="b4" atomRefs2="a4 a5" order="1" />
      </bondArray>
      <propertyList>
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          <scalar>Gaussian 09, Revision D.01</scalar>
        </property>
        <property title="basis">
          <scalar>6-311+G(2df,2pd) (5D, 7F)</scalar>
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        <property title="File Format">
          <scalar>g03</scalar>
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        <property title="MW">
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        <property title="Energy" dictRef="me:ZPE">
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        <property title="SpinMultiplicity" dictRef="me:spinMultiplicity">
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        <property title="Vibrational Frequencies" dictRef="me:vibFreqs">
          <array units="cm-1">473.44 479.68 532.85 675.70 1019.91 1091.99 1355.02 1442.26 3526.62</array>
        </property>
        <property title="Rotational Constants" dictRef="me:rotConsts">
          <array units="cm-1">0.33977 0.33032 0.16749</array>
        </property>
        <property title="Symmetry Number" dictRef="me:symmetryNumber">
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        <property dictRef="me:sigma" default="true">
          <scalar>4.196</scalar>
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        <property dictRef="me:epsilon" default="true">
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        <property dictRef="me:frequenciesScaleFactor" default="true">
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        <property title="Hessian" dictRef="me:hessian">
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      </propertyList>
      <me:DOSCMethod name="ClassicalRotors" />
      <me:DistributionCalcMethod name="Boltzmann" />
      <me:energyTransferModel name="ExponentialDown" />
      <me:deltaEDown>150.0</me:deltaEDown>
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      <bondArray>
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      <propertyList>
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        <property title="basis">
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        <property title="File Format">
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        <property title="MW">
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        </property>
        <property title="Energy" dictRef="me:ZPE">
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        </property>
        <property title="SpinMultiplicity" dictRef="me:spinMultiplicity">
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        <property title="Rotational Constants" dictRef="me:rotConsts">
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        </property>
        <property title="Symmetry Number" dictRef="me:symmetryNumber">
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        </property>
        <property dictRef="me:sigma" default="true">
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        </property>
        <property dictRef="me:epsilon" default="true">
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-1.45315306E-03 -8.86546434E-04  4.80632393E-03  4.13502526E-03  2.38133066E-03  6.21303085E-03 -1.57791767E-02 -1.37889848E-02 -3.82379810E-03  4.14977313E-03 -1.36267929E-03 -3.14715293E-02  2.05935633E-02 -1.01158539E-02  6.90433692E-03  6.23830273E-03 -5.05692174E-03 -4.06729682E-04  5.13870830E-05  2.97592201E-04 -3.12202746E-02  1.91713870E-02 -7.66956720E-02 -3.42149675E-03 -1.28335355E-02  1.38138144E-02  5.36647053E-02 -2.22244392E-02  9.17706342E-02</matrix>
         </property>
        <property title="Vibrational Frequencies" dictRef="me:vibFreqs">
          <array units="cm-1">43.68 47.81 65.82 76.92 157.06 226.80 273.60 303.43 310.75 324.12 345.77 380.82 462.84 488.09 504.53 518.58 523.04 562.73 569.78 594.97 651.33 735.62 837.82 901.54 989.91 1021.35 1118.96 1125.89 1169.07 1282.45 1412.23 1576.69 1632.70 1650.21 1674.30 1740.74 2822.79 3152.02 3305.08 3584.16 3826.07 3852.26 3942.82 3951.63</array>
        </property>
        <property title="ImaginaryFrequency" dictRef="me:imFreqs">
          <scalar units="cm-1">278.45</scalar>
        </property>
        <property title="Rotational Constants" dictRef="me:rotConsts">
          <array units="cm-1">0.06635 0.03184 0.02512</array>
        </property>
        <property title="Symmetry Number" dictRef="me:symmetryNumber">
          <scalar>1</scalar>
        </property>
        <property dictRef="me:frequenciesScaleFactor" default="true">
          <scalar>1</scalar>
        </property>
      </propertyList>
      <me:DOSCMethod default="true" name="ClassicalRotors" />
    </molecule>
  </moleculeList>
  <reactionList>
    <reaction id="R1" reversible="true">
      <reactantList>
        <reactant>
          <molecule ref="HNSO2" role="deficientReactant" />
        </reactant>
        <reactant>
          <molecule ref="4H2O" role="excessReactant" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="kuo-IM_WT1" role="modelled" />
        </product>
      </productList>
      <me:MCRCMethod xsi:type="me:MesmerILT">
        <me:preExponential units="cm3molecule-1s-1">5.5e-12</me:preExponential>
        <me:activationEnergy units="kcal/mol">0.0</me:activationEnergy>
        <me:TInfinity>200</me:TInfinity>
        <me:nInfinity>1.5</me:nInfinity>
      </me:MCRCMethod>
      <me:excessReactantConc>3.0E12</me:excessReactantConc>
      <me:TInfinity default="true">200</me:TInfinity>
    </reaction>
    <reaction id="R2">
      <reactantList>
        <reactant>
          <molecule ref="kuo-IM_WT1" role="modelled" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IM" role="modelled" />
        </product>
      </productList>
      <me:transitionState>
        <molecule ref="kuo-TS_WT1" role="transitionState" />
      </me:transitionState>
      <me:MCRCMethod name="RRKM" />
    </reaction>
    <reaction id="R3">
      <reactantList>
        <reactant>
          <molecule ref="IM" role="modelled" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IMF" role="modelled" />
        </product>
      </productList>
      <me:transitionState>
        <molecule ref="TS" role="transitionState" />
      </me:transitionState>
      <me:MCRCMethod name="RRKM" />
    </reaction>
  </reactionList>
  <me:conditions>
    <me:bathGas>N2</me:bathGas>
    <me:PTs>
      <!--Stan-->
      <me:PTpair units="Torr" P= "760" T= "280" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.22E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "290" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.12E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "298" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.38E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "300" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.38E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "310" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "320" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
    </me:PTs>
  </me:conditions>
  <me:modelParameters>
    <!--Specify grain size directly...-->
    <me:grainSize units="cm-1">100</me:grainSize>
    <!--...or by the total number of grains
        <me:numberOfGrains> 500 </me:numberOfGrains>-->
    <!--Specify increased energy range
        <me:maxTemperature>1000</me:maxTemperature>-->
    <me:energyAboveTheTopHill>25.0</me:energyAboveTheTopHill>
  </me:modelParameters>
  <me:control>
    <me:testDOS />
    <me:printSpeciesProfile />
    <me:testMicroRates Tstep="1" default="true" Tmin="213" Tmax="320" />
    <me:testRateConstant />
    <me:printGrainDOS />
    <!--<me:printCellDOS />-->
    <!--<me:printReactionOperatorColumnSums />-->
    <!--<me:printTunnellingCoefficients />-->
    <me:printGrainkfE />
    <!--<me:printGrainBoltzmann />-->
    <me:printGrainkbE />
    <me:eigenvalues>0</me:eigenvalues>
    <!-- <me:hideInactive/>  Molecules and reactions with attribute active="false" are not shown-->
    <me:diagramEnergyOffset>0</me:diagramEnergyOffset>
    <!--Adjusts displayed energies to this values for the lowest species. -->
    <me:calcMethod default="true" name="simpleCalc" />
    <me:ForceMacroDetailedBalance default="true">true</me:ForceMacroDetailedBalance>
  </me:control>
  <metadataList xmlns:dc="http://purl.org/dc/elements/1.1/">
    <dc:title>Project name</dc:title>
    <dc:source>HNSO2_4H2O_NH2SO3H_3H2O.xml</dc:source>
    <dc:creator>Mesmer v6.0</dc:creator>
    <dc:date>20210327_111003</dc:date>
    <dc:contributor>Bala</dc:contributor>
  </metadataList>
</me:mesmer>


Channel AM (HNSO2-H2O + NH3 → NH2SO3H + NH3)
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<me:mesmer xmlns="http://www.xml-cml.org/schema" xmlns:me="http://www.chem.leeds.ac.uk/mesmer" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
  <me:title>HNSO2-H2O_NH3_NH2SO3H_NH3</me:title>
  <moleculeList convention="">
    <molecule id="N2">
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  <atom id="a7" elementType="H" x3="-1.487658" y3="-0.716518" z3="-0.363539"/>
  <atom id="a8" elementType="O" x3="-0.392355" y3="-1.178501" z3="-0.688806"/>
  <atom id="a9" elementType="H" x3="-0.162156" y3="-2.014270" z3="-0.266370"/>
  <atom id="a10" elementType="N" x3="-2.399885" y3="0.073334" z3="0.007681"/>
  <atom id="a11" elementType="H" x3="-2.481218" y3="0.030966" z3="1.018178"/>
  <atom id="a12" elementType="H" x3="-3.309017" y3="-0.021862" z3="-0.426304"/>
 </atomArray>
 <bondArray>
  <bond atomRefs2="a5 a4" order="1"/>
  <bond atomRefs2="a8 a7" order="1"/>
  <bond atomRefs2="a8 a9" order="1"/>
  <bond atomRefs2="a4 a1" order="1"/>
  <bond atomRefs2="a12 a10" order="1"/>
  <bond atomRefs2="a6 a10" order="1"/>
  <bond atomRefs2="a3 a1" order="1"/>
  <bond atomRefs2="a10 a11" order="1"/>
  <bond atomRefs2="a1 a2" order="2"/>
 </bondArray>
      <propertyList>
        <property title="program">
          <scalar>Gaussian 09, Revision D.01</scalar>
        </property>
        <property title="basis">
          <scalar>6-311+G(2df,2pd) (5D, 7F)</scalar>
        </property>
        <property title="File Format">
          <scalar>g03</scalar>
        </property>
        <property title="MW">
          <scalar>114.00991</scalar>
        </property>
        <property title="Energy" dictRef="me:ZPE">
          <scalar units="kcal/mol">-11.7</scalar>
        </property>
        <property title="SpinMultiplicity" dictRef="me:spinMultiplicity">
          <scalar>1.00</scalar>
        </property>
        <property title="Hessian" dictRef="me:hessian">
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         </property>
        <property title="Vibrational Frequencies" dictRef="me:vibFreqs">
          <array units="cm-1">105.78 202.58 209.98 300.17 321.88 448.50 475.43 495.69 538.06 568.44 575.07 646.87 677.68 743.31 985.20 1050.36 1100.94 1284.94 1304.62 1400.57 1550.78 1605.56 1679.18 1774.86 3397.50 3558.68 3570.77 3634.73 3858.36</array>
        </property>
        <property title="ImaginaryFrequency" dictRef="me:imFreqs">
          <scalar units="cm-1">639.19</scalar>
        </property>
        <property title="Rotational Constants" dictRef="me:rotConsts">
          <array units="cm-1">0.15275  0.07226  0.06931</array>
        </property>
        <property title="Symmetry Number" dictRef="me:symmetryNumber">
          <scalar>1</scalar>
        </property>
        <property dictRef="me:frequenciesScaleFactor" default="true">
          <scalar>1</scalar>
        </property>
      </propertyList>
      <me:DOSCMethod default="true" name="ClassicalRotors" />
    </molecule>
  </moleculeList>
  <reactionList>
    <reaction id="R1" reversible="true">
      <reactantList>
        <reactant>
          <molecule ref="HNSO2-H2O" role="deficientReactant" />
        </reactant>
        <reactant>
          <molecule ref="NH3" role="excessReactant" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IM" role="modelled" />
        </product>
      </productList>
      <me:MCRCMethod xsi:type="me:MesmerILT">
        <me:preExponential units="cm3molecule-1s-1">2.24e-16</me:preExponential>
        <me:activationEnergy units="kcal/mol">0.0</me:activationEnergy>
        <me:TInfinity>298.0</me:TInfinity>
        <me:nInfinity>-0.5</me:nInfinity>
      </me:MCRCMethod>
      <me:excessReactantConc>3.0E8</me:excessReactantConc>
      <me:TInfinity default="true">298</me:TInfinity>
    </reaction>
    <reaction id="R2">
      <reactantList>
        <reactant>
          <molecule ref="IM" role="modelled" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IMF" role="modelled" />
        </product>
      </productList>
      <me:transitionState>
        <molecule ref="TS" role="transitionState" />
      </me:transitionState>
      <me:tunneling name="Eckart" />
      <me:MCRCMethod name="simpleRRKM" />
    </reaction>
  </reactionList>
  <me:conditions>
    <me:bathGas>N2</me:bathGas>
    <me:PTs>
      <!--Stan-->
      <me:PTpair units="Torr" P= "760" T= "280" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2-H2O" ref2="HNSO2-H2O" refReaction="R1" error="0.22E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "290" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2-H2O" ref2="HNSO2-H2O" refReaction="R1" error="0.12E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "298" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2-H2O" ref2="HNSO2-H2O" refReaction="R1" error="0.38E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "300" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2-H2O" ref2="HNSO2-H2O" refReaction="R1" error="0.38E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "10" T= "310" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2-H2O" ref2="HNSO2-H2O" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "320" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2-H2O" ref2="HNSO2-H2O" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
    </me:PTs>
  </me:conditions>
  <me:modelParameters>
    <!--Specify grain size directly...-->
    <me:grainSize units="cm-1">100</me:grainSize>
    <!--...or by the total number of grains
        <me:numberOfGrains> 500 </me:numberOfGrains>-->
    <!--Specify increased energy range
        <me:maxTemperature>6000</me:maxTemperature>-->
    <me:energyAboveTheTopHill>25.0</me:energyAboveTheTopHill>
  </me:modelParameters>
  <me:control>
    <me:testDOS />
    <me:printSpeciesProfile />
    <me:testMicroRates Tstep="1" default="true" Tmin="200" Tmax="400" />
    <me:testRateConstant />
    <me:printGrainDOS />
    <!--<me:printCellDOS />-->
    <!--<me:printReactionOperatorColumnSums />-->
    <!--<me:printTunnellingCoefficients />-->
    <me:printGrainkfE />
    <!--<me:printGrainBoltzmann />-->
    <me:printGrainkbE />
    <me:eigenvalues>0</me:eigenvalues>
    <!-- <me:hideInactive/>  Molecules and reactions with attribute active="false" are not shown-->
    <me:diagramEnergyOffset>0</me:diagramEnergyOffset>
    <!--Adjusts displayed energies to this values for the lowest species. -->
    <me:calcMethod default="true" name="simpleCalc" />
    <me:ForceMacroDetailedBalance default="true">true</me:ForceMacroDetailedBalance>
  </me:control>
  <metadataList xmlns:dc="http://purl.org/dc/elements/1.1/">
    <dc:title>Project name</dc:title>
    <dc:source>HNSO2-H2O_NH3_NH2SO3H_NH3.xml</dc:source>
    <dc:creator>Mesmer v6.0</dc:creator>
    <dc:date>20210327_111003</dc:date>
    <dc:contributor>Bala</dc:contributor>
  </metadataList>
</me:mesmer> 

Channel MA (CH3NH2-H2O + HNSO2 → NH2SO3H + CH3NH2)
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  <me:title>CH3NH2-H2O_HNSO2_NH2SO3H_CH3NH2</me:title>
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7.07295161E-05  1.08426802E-04 -1.65179796E-02 -5.79459407E-04 -1.48510504E-02  5.82171371E-04 -3.50590736E-05  7.32139670E-04 -7.76208354E-05 -4.88147479E-04 -5.47762916E-04 -1.72138119E-01 -6.93298445E-02 -1.12355863E-01  1.22693525E-02  5.41975778E-03  1.00392362E-02 -1.13026999E-02 -7.23284711E-03 -1.31708471E-02  1.86539953E-01 -1.62714528E-04 -8.08567657E-04  1.48782534E-03 -7.75387898E-04  6.15931688E-04 -3.40261976E-04  4.72373853E-05  1.26632887E-04 -2.68821431E-04  1.48260363E-04  1.78469606E-04 -2.45414569E-04  3.96857789E-06  4.56816354E-05 -2.46778447E-06 -3.23985162E-03 -4.28863578E-03 -1.52704802E-03  2.94286098E-03  1.81935803E-03  7.96043737E-04  5.97825166E-04 -8.17882981E-05  1.38185495E-04  2.76074312E-02  6.90507412E-03  2.42636780E-02 -1.52307364E-04  1.57484713E-03 -3.92892514E-04 -8.66991074E-04  1.40795382E-03  8.81953303E-05 -7.42411372E-02 -9.28076574E-02 -6.96914031E-02 -1.06243443E-02 -5.34238282E-03 -7.61182691E-03 -1.15829383E-02 -6.65804325E-03 -1.46989816E-02  7.02980887E-02  9.73131264E-02  3.77676843E-04  4.64371372E-04 -9.78246271E-04  4.51649828E-04 -3.73112704E-04  1.84748553E-04 -1.10957571E-04 -9.75171670E-05  1.37349758E-04 -1.51540152E-04 -7.79926386E-05  1.54454420E-04 -4.31287138E-06 -4.57157427E-05 -5.08676580E-06  2.16981079E-03  1.92854300E-03  1.34378853E-03 -1.45021523E-03 -8.17205808E-04 -3.13047897E-04 -1.46979636E-04  7.25279369E-05 -4.01776727E-05 -1.12982952E-02  7.43013690E-04 -7.70723398E-03 -4.38927032E-04 -2.68498712E-04 -4.59744468E-04  8.83299460E-04  1.74569924E-04  5.50510469E-04 -1.13263932E-01 -6.52869430E-02 -1.59286330E-01 -1.67229771E-02 -9.66323506E-03 -1.43332149E-02  1.06218871E-02  5.24200480E-03  1.23435884E-02  1.29083813E-01  6.80051901E-02  1.68408642E-01</matrix>
         </property>
        <property title="Vibrational Frequencies" dictRef="me:vibFreqs">
          <array units="cm-1">64.43 111.40 160.10 164.35 207.64 288.83 304.38 441.83 488.28 534.92 564.41 574.94 589.83 626.41 856.46 948.99 984.21 1030.38 1055.83 1091.11 1121.71 1253.141304.91 1330.52 1408.69 1471.73 1519.39 1524.11 1545.93 1648.84 1751.41 3081.51 3157.38 3174.00 3466.54 3569.11 3575.52 3862.99</array>
        </property>
        <property title="ImaginaryFrequency" dictRef="me:imFreqs">
          <scalar units="cm-1">434.51</scalar>
        </property>
        <property title="Rotational Constants" dictRef="me:rotConsts">
          <array units="cm-1">0.13170     0.04294    0.04273</array>
        </property>
        <property title="Symmetry Number" dictRef="me:symmetryNumber">
          <scalar>1</scalar>
        </property>
        <property dictRef="me:frequenciesScaleFactor" default="true">
          <scalar>1</scalar>
        </property>
      </propertyList>
      <me:DOSCMethod default="true" name="ClassicalRotors" />
    </molecule>
  </moleculeList>
  <reactionList>
    <reaction id="R1" reversible="true">
      <reactantList>
        <reactant>
          <molecule ref="HNSO2" role="deficientReactant" />
        </reactant>
        <reactant>
          <molecule ref="CH3NH2-H2O" role="excessReactant" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IM" role="modelled" />
        </product>
      </productList>
      <me:MCRCMethod xsi:type="me:MesmerILT">
        <me:preExponential units="cm3molecule-1s-1">1.03e-12</me:preExponential>
        <me:activationEnergy units="kcal/mol">0.0</me:activationEnergy>
        <me:TInfinity>298.0</me:TInfinity>
        <me:nInfinity>-0.5</me:nInfinity>
      </me:MCRCMethod>
      <me:excessReactantConc>3.0E8</me:excessReactantConc>
      <me:TInfinity default="true">298</me:TInfinity>
    </reaction>
    <reaction id="R2">
      <reactantList>
        <reactant>
          <molecule ref="IM" role="modelled" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IMF" role="modelled" />
        </product>
      </productList>
      <me:transitionState>
        <molecule ref="TS" role="transitionState" />
      </me:transitionState>
      <me:tunneling name="Eckart" />
      <me:MCRCMethod name="simpleRRKM" />
    </reaction>
  </reactionList>
  <me:conditions>
    <me:bathGas>N2</me:bathGas>
    <me:PTs>
      <!--Stan-->
      <me:PTpair units="Torr" P= "760" T= "280" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.22E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "290" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.12E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "298" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.38E-13">5.5E-13</me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "300" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.38E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "310" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "320" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
    </me:PTs>
  </me:conditions>
  <me:modelParameters>
    <!--Specify grain size directly...-->
    <me:grainSize units="cm-1">100</me:grainSize>
    <!--...or by the total number of grains
        <me:numberOfGrains> 500 </me:numberOfGrains>-->
    <!--Specify increased energy range
        <me:maxTemperature>1000</me:maxTemperature>-->
    <me:energyAboveTheTopHill>25.0</me:energyAboveTheTopHill>
  </me:modelParameters>
  <me:control>
    <me:testDOS />
    <me:printSpeciesProfile />
    <me:testMicroRates Tstep="1" default="true" Tmin="200" Tmax="400" />
    <me:testRateConstant />
    <me:printGrainDOS />
    <!--<me:printCellDOS />-->
    <!--<me:printReactionOperatorColumnSums />-->
    <!--<me:printTunnellingCoefficients />-->
    <me:printGrainkfE />
    <!--<me:printGrainBoltzmann />-->
    <me:printGrainkbE />
    <me:eigenvalues>0</me:eigenvalues>
    <!-- <me:hideInactive/>  Molecules and reactions with attribute active="false" are not shown-->
    <me:diagramEnergyOffset>0</me:diagramEnergyOffset>
    <!--Adjusts displayed energies to this values for the lowest species. -->
    <me:calcMethod default="true" name="simpleCalc" />
    <me:ForceMacroDetailedBalance default="true">true</me:ForceMacroDetailedBalance>
  </me:control>
  <metadataList xmlns:dc="http://purl.org/dc/elements/1.1/">
    <dc:title>Project name</dc:title>
    <dc:source>CH3NH2-H2O_HNSO2_NH2SO3H_CH3NH2.xml</dc:source>
    <dc:creator>Mesmer v6.0</dc:creator>
    <dc:date>20210327_111003</dc:date>
    <dc:contributor>Bala</dc:contributor>
  </metadataList>
</me:mesmer> 
 
Channel FA (HCOOH-H2O + HNSO2 → NH2SO3H + HCOOH)
<?xml version="1.0" encoding="utf-8" ?>
<?xml-stylesheet type='text/xsl' href='../../mesmer2.xsl' media='other'?>
<?xml-stylesheet type='text/xsl' href='../../mesmer1.xsl' media='screen'?>
<me:mesmer xmlns="http://www.xml-cml.org/schema" xmlns:me="http://www.chem.leeds.ac.uk/mesmer" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
  <me:title>HCOOH-H2O_HNSO2_NH2SO3H_HCOOH</me:title>
  <moleculeList convention="">
    <molecule id="N2">
      <atomArray>
        <atom id="a1" elementType="N" />
        <atom id="a2" elementType="N" />
      </atomArray>
      <bondArray>
        <bond atomRefs2="a2 a1" order="3" />
      </bondArray>
      <propertyList>
        <property dictRef="me:epsilon">
          <scalar>48.0</scalar>
        </property>
        <property dictRef="me:sigma">
          <scalar>3.90</scalar>
        </property>
        <property dictRef="me:MW">
          <scalar units="amu">28.0</scalar>
        </property>
      </propertyList>
      <metadata name="copiedFrom" content="C:\Mesmer-6.0/librarymols.xml" timestamp="20210327_103644" />
    </molecule>
    <molecule id="HCOOH-H2O" spinMultiplicity="1">
      <atomArray>
  <atom id="a1" elementType="C" x3="1.198399" y3="-0.040396" z3="-0.006658"/>
  <atom id="a2" elementType="H" x3="2.285532" y3="0.091740" z3="-0.009439"/>
  <atom id="a3" elementType="O" x3="0.577853" y3="1.124111" z3="-0.007508"/>
  <atom id="a4" elementType="O" x3="0.666155" y3="-1.119879" z3="-0.004099"/>
  <atom id="a5" elementType="H" x3="-0.393452" y3="0.966611" z3="-0.003273"/>
  <atom id="a6" elementType="O" x3="-1.884443" y3="0.003992" z3="0.083625"/>
  <atom id="a7" elementType="H" x3="-1.351330" y3="-0.801167" z3="0.016184"/>
  <atom id="a8" elementType="H" x3="-2.607669" y3="-0.080602" z3="-0.539665"/>
      </atomArray>
      <bondArray>
        <bond id="b1" atomRefs2="a8 a6" order="1"/>
        <bond id="b2" atomRefs2="a2 a1" order="1"/>
        <bond id="b3"  atomRefs2="a3 a1" order="1"/>
        <bond id="b4" atomRefs2="a3 a5" order="1"/>
        <bond id="b5" atomRefs2="a1 a4" order="2"/>
        <bond id="b6" atomRefs2="a7 a6" order="1"/>
      </bondArray>
      <propertyList>
        <property title="program">
          <scalar>Gaussian 09, Revision D.01</scalar>
        </property>
        <property title="basis">
          <scalar>6-311+G(2df,2pd) (5D, 7F)</scalar>
        </property>
        <property title="File Format">
          <scalar>g03</scalar>
        </property>
        <property title="MW">
          <scalar> 64.01604 </scalar>
        </property>
        <property title="Energy" dictRef="me:ZPE">
          <scalar units="kcal/mol">-7.7</scalar>
        </property>
        <property title="SpinMultiplicity" dictRef="me:spinMultiplicity">
          <scalar>1.00</scalar>
        </property>
        <property title="Vibrational Frequencies" dictRef="me:vibFreqs">
          <array units="cm-1">178.22
195.14
203.57
267.55
357.24
573.56
707.00
900.10
1086.25
1246.78
1404.38
1453.74
1617.37
1827.21
3114.27
3431.70
3768.47
3963.86</array>
        </property>
        <property title="Rotational Constants" dictRef="me:rotConsts">
          <array units="cm-1">0.39905 0.16705 0.11839</array>
        </property>
        <property title="Symmetry Number" dictRef="me:symmetryNumber">
          <scalar>1</scalar>
        </property>
        <property dictRef="me:sigma" default="true">
          <scalar>4.196</scalar>
        </property>
        <property dictRef="me:epsilon" default="true">
          <scalar>289.3</scalar>
        </property>
        <property dictRef="me:frequenciesScaleFactor" default="true">
          <scalar>1</scalar>
        </property>
        <property title="Hessian" dictRef="me:hessian">
           <matrix rows="24" matrixType="squareSymmetricLT" units="Hartree/Bohr2">  8.31400461E-01  1.66355648E-01  9.26851922E-01 -1.48824752E-03 -1.14396057E-03
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1334.01
1342.08
1405.96
1443.47
1450.29
1538.67
1662.14
1829.55
1908.68
3167.77
3589.77
3825.77</array>
        </property>
        <property title="ImaginaryFrequency" dictRef="me:imFreqs">
          <scalar units="cm-1">453.94</scalar>
        </property>
        <property title="Rotational Constants" dictRef="me:rotConsts">
          <array units="cm-1">0.11122  0.03822  0.03428 </array>
        </property>
        <property title="Symmetry Number" dictRef="me:symmetryNumber">
          <scalar>1</scalar>
        </property>
        <property dictRef="me:frequenciesScaleFactor" default="true">
          <scalar>1</scalar>
        </property>
      </propertyList>
      <me:DOSCMethod default="true" name="ClassicalRotors" />
    </molecule>
  </moleculeList>
  <reactionList>
    <reaction id="R1" reversible="true">
      <reactantList>
        <reactant>
          <molecule ref="HCOOH-H2O" role="deficientReactant" />
        </reactant>
        <reactant>
          <molecule ref="HNSO2" role="excessReactant" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="kuo-IM_FA1" role="modelled" />
        </product>
      </productList>
      <me:MCRCMethod xsi:type="me:MesmerILT">
        <me:preExponential units="cm3molecule-1s-1">2.24e-20</me:preExponential>
        <me:activationEnergy units="kcal/mol">0.0</me:activationEnergy>
        <me:TInfinity>298.0</me:TInfinity>
        <me:nInfinity>-0.5</me:nInfinity>
      </me:MCRCMethod>
      <me:excessReactantConc>3.0E8</me:excessReactantConc>
      <me:TInfinity default="true">298</me:TInfinity>
    </reaction>
    <reaction id="R2">
      <reactantList>
        <reactant>
          <molecule ref="kuo-IM_FA1" role="modelled" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IM" role="modelled" />
        </product>
      </productList>
      <me:transitionState>
        <molecule ref="kuo-TS_FA1" role="transitionState" />
      </me:transitionState>
      <me:tunneling name="Eckart" />
      <me:MCRCMethod name="simpleRRKM" />
    </reaction>
    <reaction id="R3">
      <reactantList>
        <reactant>
          <molecule ref="IM" role="modelled" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IMF" role="modelled" />
        </product>
      </productList>
      <me:transitionState>
        <molecule ref="TS" role="transitionState" />
      </me:transitionState>
      <me:tunneling name="Eckart" />
      <me:MCRCMethod name="simpleRRKM" />
    </reaction>
  </reactionList>
  <me:conditions>
    <me:bathGas>N2</me:bathGas>
    <me:PTs>
      <!--Stan-->
      <me:PTpair units="Torr" P= "0.1" T= "280" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HCOOH-H2O" ref2="IM" refReaction="R1" error="0.22E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "0.1" T= "290" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HCOOH-H2O" ref2="IM" refReaction="R1" error="0.12E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "0.1" T= "298" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HCOOH-H2O" ref2="IM" refReaction="R1" error="0.38E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "0.1" T= "300" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HCOOH-H2O" ref2="IM" refReaction="R1" error="0.38E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "0.1" T= "310" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HCOOH-H2O" ref2="IM" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "0.1" T= "320" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HCOOH-H2O" ref2="IM" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
    </me:PTs>
  </me:conditions>
  <me:modelParameters>
    <!--Specify grain size directly...-->
    <me:grainSize units="cm-1">100</me:grainSize>
    <!--...or by the total number of grains
        <me:numberOfGrains> 500 </me:numberOfGrains>-->
    <!--Specify increased energy range
        <me:maxTemperature>1000</me:maxTemperature>-->
    <me:energyAboveTheTopHill>25.0</me:energyAboveTheTopHill>
  </me:modelParameters>
  <me:control>
    <me:testDOS />
    <me:printSpeciesProfile />
    <me:testMicroRates Tstep="1" default="true" Tmin="213" Tmax="320" />
    <me:testRateConstant />
    <me:printGrainDOS />
    <!--<me:printCellDOS />-->
    <!--<me:printReactionOperatorColumnSums />-->
    <!--<me:printTunnellingCoefficients />-->
    <me:printGrainkfE />
    <!--<me:printGrainBoltzmann />-->
    <me:printGrainkbE />
    <me:eigenvalues>0</me:eigenvalues>
    <!-- <me:hideInactive/>  Molecules and reactions with attribute active="false" are not shown-->
    <me:diagramEnergyOffset>0</me:diagramEnergyOffset>
    <!--Adjusts displayed energies to this values for the lowest species. -->
    <me:calcMethod default="true" name="simpleCalc" />
    <me:ForceMacroDetailedBalance default="true">true</me:ForceMacroDetailedBalance>
  </me:control>
  <metadataList xmlns:dc="http://purl.org/dc/elements/1.1/">
    <dc:title>Project name</dc:title>
    <dc:source>HCOOH-H2O_HNSO2_NH2SO3H_HCOOH</dc:source>
    <dc:creator>Mesmer v6.0</dc:creator>
    <dc:date>20210327_111003</dc:date>
    <dc:contributor>Bala</dc:contributor>
  </metadataList>
</me:mesmer>

Channel SA (t-H2SO4-H2O + HNSO2 → NH2SO3H + t-H2SO4)

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<me:mesmer xmlns="http://www.xml-cml.org/schema" xmlns:me="http://www.chem.leeds.ac.uk/mesmer" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
  <me:title>t-H2SO4-H2O_HNSO2_NH2SO3H_t-H2SO4</me:title>
  <moleculeList convention="">
    <molecule id="N2">
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        <atom id="a1" elementType="N" />
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      <bondArray>
        <bond atomRefs2="a2 a1" order="3" />
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    </molecule>
    <molecule id="t-H2SO4-H2O" spinMultiplicity="1">
      <atomArray>
        <atom id="a1" elementType="S" x3="-0.578051" y3="-0.093855" z3="0.105791"/>
        <atom id="a2" elementType="O" x3="-0.915476" y3="1.398686" z3="-0.311933"/>
        <atom id="a3" elementType="O" x3="0.334585" y3="-0.576118" z3="-1.054610"/>
        <atom id="a4" elementType="O" x3="0.204991" y3="0.025339" z3="1.295684"/>
        <atom id="a5" elementType="O" x3="-1.780384" y3="-0.847685" z3="0.062861"/>
        <atom id="a6" elementType="H" x3="-1.676117" y3="1.394654" z3="-0.907317"/>
        <atom id="a7" elementType="H" x3="1.289397" y3="-0.370458" z3="-0.829129"/>
        <atom id="a8" elementType="O" x3="2.674869" y3="-0.044643" z3="-0.056215"/>
        <atom id="a9" elementType="H" x3="2.288404" y3="0.099659" z3="0.818185"/>
        <atom id="a10" elementType="H" x3="3.198449" y3="0.733189" z3="-0.260697"/>
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      <bondArray>
        <bond id="b1" atomRefs2="a4 a1" order="2"/>
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      <propertyList>
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          <scalar>Gaussian 09, Revision D.01</scalar>
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        <property title="basis">
          <scalar>6-311+G(2df,2pd) (5D, 7F)</scalar>
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        <property title="File Format">
          <scalar>g03</scalar>
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        <property title="MW">
          <scalar>115.97795 </scalar>
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        <property title="Energy" dictRef="me:ZPE">
          <scalar units="kcal/mol">-10.4</scalar>
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        <property title="SpinMultiplicity" dictRef="me:spinMultiplicity">
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231.09
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438.44
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        <property title="Rotational Constants" dictRef="me:rotConsts">
          <array units="cm-1">0.16871     0.06485     0.06410</array>
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        <property title="Symmetry Number" dictRef="me:symmetryNumber">
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        <property dictRef="me:sigma" default="true">
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        <property dictRef="me:frequenciesScaleFactor" default="true">
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        <property title="Hessian" dictRef="me:hessian">
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  3.42202026E-04 -2.10692611E-03 -7.23102762E-02  2.26229182E-01  1.73211582E-01</matrix>
         </property>
        <property title="Vibrational Frequencies" dictRef="me:vibFreqs">
          <array units="cm-1">39.11
50.35
74.27
138.68
233.29
247.20
273.30
321.50
384.35
409.78
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476.08
495.06
524.36
540.70
553.67
571.57
599.04
607.46
834.33
864.98
918.16
1060.24
1079.07
1118.82
1154.16
1190.87
1257.57
1306.68
1402.58
1409.34
1481.12
1509.50
1622.50
2538.71
3584.50
3837.17
3842.13
</array>
        </property>
        <property title="ImaginaryFrequency" dictRef="me:imFreqs">
          <scalar units="cm-1">379.92</scalar>
        </property>
        <property title="Rotational Constants" dictRef="me:rotConsts">
          <array units="cm-1">0.07908     0.01870     0.01846</array>
        </property>
        <property title="Symmetry Number" dictRef="me:symmetryNumber">
          <scalar>1</scalar>
        </property>
        <property dictRef="me:frequenciesScaleFactor" default="true">
          <scalar>1</scalar>
        </property>
      </propertyList>
      <me:DOSCMethod default="true" name="ClassicalRotors" />
    </molecule>
  </moleculeList>
  <reactionList>
    <reaction id="R1" reversible="true">
      <reactantList>
        <reactant>
          <molecule ref="t-H2SO4-H2O" role="deficientReactant" />
        </reactant>
        <reactant>
          <molecule ref="HNSO2" role="excessReactant" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="kuo-IM_SA1" role="modelled" />
        </product>
      </productList>
      <me:MCRCMethod xsi:type="me:MesmerILT">
        <me:preExponential units="cm3molecule-1s-1">2.24e-20</me:preExponential>
        <me:activationEnergy units="kcal/mol">0.0</me:activationEnergy>
        <me:TInfinity>298.0</me:TInfinity>
        <me:nInfinity>-0.5</me:nInfinity>
      </me:MCRCMethod>
      <me:excessReactantConc>3.0E8</me:excessReactantConc>
      <me:TInfinity default="true">298</me:TInfinity>
    </reaction>
    <reaction id="R2">
      <reactantList>
        <reactant>
          <molecule ref="kuo-IM_SA1" role="modelled" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IM" role="modelled" />
        </product>
      </productList>
      <me:transitionState>
        <molecule ref="kuo-TS_SA1" role="transitionState" />
      </me:transitionState>
      <me:tunneling name="Eckart" />
      <me:MCRCMethod name="simpleRRKM" />
    </reaction>
    <reaction id="R3">
      <reactantList>
        <reactant>
          <molecule ref="IM" role="modelled" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IMF" role="modelled" />
        </product>
      </productList>
      <me:transitionState>
        <molecule ref="TS" role="transitionState" />
      </me:transitionState>
      <me:tunneling name="Eckart" />
      <me:MCRCMethod name="simpleRRKM" />
    </reaction>
  </reactionList>
  <me:conditions>
    <me:bathGas>N2</me:bathGas>
    <me:PTs>
      <!--Stan-->
      <me:PTpair units="Torr" P= "760" T= "280" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="t-H2SO4-H2O" ref2="IMF" refReaction="R1" error="0.22E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "290" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="t-H2SO4-H2O" ref2="IMF" refReaction="R1" error="0.12E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "298" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="t-H2SO4-H2O" ref2="IMF" refReaction="R1" error="0.38E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "300" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="t-H2SO4-H2O" ref2="IMF" refReaction="R1" error="0.38E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "310" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="t-H2SO4-H2O" ref2="IMF" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "320" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="t-H2SO4-H2O" ref2="IMF" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
    </me:PTs>
  </me:conditions>
  <me:modelParameters>
    <!--Specify grain size directly...-->
    <me:grainSize units="cm-1">100</me:grainSize>
    <!--...or by the total number of grains
        <me:numberOfGrains> 500 </me:numberOfGrains>-->
    <!--Specify increased energy range
        <me:maxTemperature>1000</me:maxTemperature>-->
    <me:energyAboveTheTopHill>25.0</me:energyAboveTheTopHill>
  </me:modelParameters>
  <me:control>
    <me:testDOS />
    <me:printSpeciesProfile />
    <me:testMicroRates Tstep="1" default="true" Tmin="213" Tmax="320" />
    <me:testRateConstant />
    <me:printGrainDOS />
    <!--<me:printCellDOS />-->
    <!--<me:printReactionOperatorColumnSums />-->
    <!--<me:printTunnellingCoefficients />-->
    <me:printGrainkfE />
    <!--<me:printGrainBoltzmann />-->
    <me:printGrainkbE />
    <me:eigenvalues>0</me:eigenvalues>
    <!-- <me:hideInactive/>  Molecules and reactions with attribute active="false" are not shown-->
    <me:diagramEnergyOffset>0</me:diagramEnergyOffset>
    <!--Adjusts displayed energies to this values for the lowest species. -->
    <me:calcMethod default="true" name="simpleCalc" />
    <me:ForceMacroDetailedBalance default="true">true</me:ForceMacroDetailedBalance>
  </me:control>
  <metadataList xmlns:dc="http://purl.org/dc/elements/1.1/">
    <dc:title>Project name</dc:title>
    <dc:source>t-H2SO4-H2O_HNSO2_NH2SO3H_t-H2SO4</dc:source>
    <dc:creator>Mesmer v6.0</dc:creator>
    <dc:date>20210327_111003</dc:date>
    <dc:contributor>Bala</dc:contributor>
  </metadataList>
</me:mesmer>

Channel SW (c-H2SO4 (H2O)2 + HNSO2 → NH2SO3H + c-H2SO4 H2O)
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<me:mesmer xmlns="http://www.xml-cml.org/schema" xmlns:me="http://www.chem.leeds.ac.uk/mesmer" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
  <me:title>c-H2SO4-(H2O)2_HNSO2_NH2SO3H_c-H2SO4-(H2O)2</me:title>
  <moleculeList convention="">
    <molecule id="N2">
      <atomArray>
        <atom id="a1" elementType="N" />
        <atom id="a2" elementType="N" />
      </atomArray>
      <bondArray>
        <bond atomRefs2="a2 a1" order="3" />
      </bondArray>
      <propertyList>
        <property dictRef="me:epsilon">
          <scalar>48.0</scalar>
        </property>
        <property dictRef="me:sigma">
          <scalar>3.90</scalar>
        </property>
        <property dictRef="me:MW">
          <scalar units="amu">28.0</scalar>
        </property>
      </propertyList>
      <metadata name="copiedFrom" content="C:\Mesmer-6.0/librarymols.xml" timestamp="20210327_103644" />
    </molecule>
    <molecule id="c-H2SO4-(H2O)2" spinMultiplicity="1">
      <atomArray>
  <atom id="a1" elementType="H" x3="-2.216570" y3="2.183616" z3="0.034817"/>
  <atom id="a2" elementType="O" x3="-1.663367" y3="1.401748" z3="-0.013511"/>
  <atom id="a3" elementType="H" x3="-2.253966" y3="0.613293" z3="-0.017173"/>
  <atom id="a4" elementType="H" x3="-3.342175" y3="-1.450595" z3="-0.570069"/>
  <atom id="a5" elementType="O" x3="-2.812622" y3="-0.987545" z3="0.081075"/>
  <atom id="a6" elementType="H" x3="-1.932000" y3="-1.392177" z3="0.063857"/>
  <atom id="a7" elementType="S" x3="0.981228" y3="-0.202397" z3="-0.003345"/>
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  1.43431287E-01 -6.24804397E-02  2.54238427E-02 -1.29167209E-01  5.80668072E-02</matrix>
         </property>
        <property title="Vibrational Frequencies" dictRef="me:vibFreqs">
          <array units="cm-1">54.92
74.65
80.45
94.31
123.54
153.27
257.40
291.46
322.58
364.33
383.00
392.84
439.76
484.58
502.28
507.78
536.93
547.92
557.98
574.52
580.93
642.23
683.84
763.44
874.62
936.91
978.81
1008.57
1057.88
1087.62
1127.46
1196.38
1261.14
1291.26
1311.08
1395.01
1409.17
1446.36
1542.44
1606.94
1643.68
1737.39
2996.36
3269.14
3584.71
3823.28
3913.95</array>
        </property>
        <property title="ImaginaryFrequency" dictRef="me:imFreqs">
          <scalar units="cm-1">407.00</scalar>
        </property>
        <property title="Rotational Constants" dictRef="me:rotConsts">
          <array units="cm-1">0.04896 0.01829 0.01581 </array>
        </property>
        <property title="Symmetry Number" dictRef="me:symmetryNumber">
          <scalar>1</scalar>
        </property>
        <property dictRef="me:frequenciesScaleFactor" default="true">
          <scalar>1</scalar>
        </property>
      </propertyList>
      <me:DOSCMethod default="true" name="ClassicalRotors" />
    </molecule>
  </moleculeList>
  <reactionList>
    <reaction id="R1" reversible="true">
      <reactantList>
        <reactant>
          <molecule ref="HNSO2" role="deficientReactant" />
        </reactant>
        <reactant>
          <molecule ref="c-H2SO4-(H2O)2" role="excessReactant" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="kuo-IM_SW1" role="modelled" />
        </product>
      </productList>
      <me:MCRCMethod xsi:type="me:MesmerILT">
        <me:preExponential units="cm3molecule-1s-1">1.03e-19</me:preExponential>
        <me:activationEnergy units="kcal/mol">0.0</me:activationEnergy>
        <me:TInfinity>298.0</me:TInfinity>
        <me:nInfinity>-0.5</me:nInfinity>
      </me:MCRCMethod>
      <me:excessReactantConc>3.0E8</me:excessReactantConc>
      <me:TInfinity default="true">298</me:TInfinity>
    </reaction>
    <reaction id="R2">
      <reactantList>
        <reactant>
          <molecule ref="kuo-IM_SW1" role="modelled" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IM" role="modelled" />
        </product>
      </productList>
      <me:transitionState>
        <molecule ref="kuo-TS_SW1" role="transitionState" />
      </me:transitionState>
      <me:tunneling name="Eckart" />
      <me:MCRCMethod name="simpleRRKM" />
    </reaction>
    <reaction id="R3">
      <reactantList>
        <reactant>
          <molecule ref="IM" role="modelled" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IMF" role="modelled" />
        </product>
      </productList>
      <me:transitionState>
        <molecule ref="TS" role="transitionState" />
      </me:transitionState>
      <me:tunneling name="Eckart" />
      <me:MCRCMethod name="simpleRRKM" />
    </reaction>
  </reactionList>
  <me:conditions>
    <me:bathGas>N2</me:bathGas>
    <me:PTs>
      <!--Stan-->
      <me:PTpair units="Torr" P= "760" T= "280" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.22E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "290" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.12E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "298" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.38E-13">5.5E-13</me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "300" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.38E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "310" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "320" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="HNSO2" ref2="HNSO2" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
    </me:PTs>
  </me:conditions>
  <me:modelParameters>
    <!--Specify grain size directly...-->
    <me:grainSize units="cm-1">100</me:grainSize>
    <!--...or by the total number of grains
        <me:numberOfGrains> 500 </me:numberOfGrains>-->
    <!--Specify increased energy range
        <me:maxTemperature>1000</me:maxTemperature>-->
    <me:energyAboveTheTopHill>25.0</me:energyAboveTheTopHill>
  </me:modelParameters>
  <me:control>
    <me:testDOS />
    <me:printSpeciesProfile />
    <me:testMicroRates Tstep="1" default="true" Tmin="213" Tmax="320" />
    <me:testRateConstant />
    <me:printGrainDOS />
    <!--<me:printCellDOS />-->
    <!--<me:printReactionOperatorColumnSums />-->
    <!--<me:printTunnellingCoefficients />-->
    <me:printGrainkfE />
    <!--<me:printGrainBoltzmann />-->
    <me:printGrainkbE />
    <me:eigenvalues>0</me:eigenvalues>
    <!-- <me:hideInactive/>  Molecules and reactions with attribute active="false" are not shown-->
    <me:diagramEnergyOffset>0</me:diagramEnergyOffset>
    <!--Adjusts displayed energies to this values for the lowest species. -->
    <me:calcMethod default="true" name="simpleCalc" />
    <me:ForceMacroDetailedBalance default="true">true</me:ForceMacroDetailedBalance>
  </me:control>
  <metadataList xmlns:dc="http://purl.org/dc/elements/1.1/">
    <dc:title>Project name</dc:title>
    <dc:source>c-H2SO4-(H2O)2_HNSO2_NH2SO3H_c-H2SO4-(H2O)2.xml</dc:source>
    <dc:creator>Mesmer v6.0</dc:creator>
    <dc:date>20210327_111003</dc:date>
    <dc:contributor>Bala</dc:contributor>
  </metadataList>
</me:mesmer>

Channel SD (HNSO2 + (H2SO4)2 H2O → NH2SO3H + (H2SO4)2)
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<me:mesmer xmlns="http://www.xml-cml.org/schema" xmlns:me="http://www.chem.leeds.ac.uk/mesmer" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
  <me:title>HNSO2_(H2SO4)2-H2O _NH2SO3H_(H2SO4)2</me:title>
  <moleculeList convention="">
    <molecule id="N2">
      <atomArray>
        <atom id="a1" elementType="N" />
        <atom id="a2" elementType="N" />
      </atomArray>
      <bondArray>
        <bond atomRefs2="a2 a1" order="3" />
      </bondArray>
      <propertyList>
        <property dictRef="me:epsilon">
          <scalar>48.0</scalar>
        </property>
        <property dictRef="me:sigma">
          <scalar>3.90</scalar>
        </property>
        <property dictRef="me:MW">
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        </property>
      </propertyList>
      <metadata name="copiedFrom" content="C:\Mesmer-6.0/librarymols.xml" timestamp="20210327_103644" />
    </molecule>
    <molecule id="HNSO2" spinMultiplicity="1">
 <atomArray>
  <atom id="a1" elementType="S" x3="0.026684" y3="-0.001717" z3="-0.000011"/>
  <atom id="a2" elementType="O" x3="1.095569" y3="-0.938591" z3="0.000002"/>
  <atom id="a3" elementType="O" x3="0.300480" y3="1.400114" z3="0.000011"/>
  <atom id="a4" elementType="N" x3="-1.365073" y3="-0.553420" z3="0.000023"/>
  <atom id="a5" elementType="H" x3="-2.039829" y3="0.209228" z3="-0.000089"/>
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 <bondArray>
  <bond atomRefs2="a5 a4" order="1"/>
  <bond atomRefs2="a1 a2" order="1"/>
  <bond atomRefs2="a1 a3" order="2"/>
  <bond atomRefs2="a1 a4" order="1"/>
 </bondArray>
      <propertyList>
        <property title="program">
          <scalar>Gaussian 09, Revision D.01</scalar>
        </property>
        <property title="basis">
          <scalar>6-311+G(2df,2pd) (5D, 7F)</scalar>
        </property>
        <property title="File Format">
          <scalar>g03</scalar>
        </property>
        <property title="MW">
          <scalar>78.97280</scalar>
        </property>
        <property title="Energy" dictRef="me:ZPE">
          <scalar units="kcal/mol">0.0</scalar>
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        <property title="SpinMultiplicity" dictRef="me:spinMultiplicity">
          <scalar>1.00</scalar>
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        <property title="Vibrational Frequencies" dictRef="me:vibFreqs">
          <array units="cm-1">473.44 479.68 532.85 675.70 1019.91 1091.99 1355.02 1442.26 3526.62</array>
        </property>
        <property title="Rotational Constants" dictRef="me:rotConsts">
          <array units="cm-1">0.33977     0.33032     0.16749</array>
        </property>
        <property title="Symmetry Number" dictRef="me:symmetryNumber">
          <scalar>1</scalar>
        </property>
        <property dictRef="me:sigma" default="true">
          <scalar>4.196</scalar>
        </property>
        <property dictRef="me:epsilon" default="true">
          <scalar>289.3</scalar>
        </property>
        <property dictRef="me:frequenciesScaleFactor" default="true">
          <scalar>1</scalar>
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        <property title="Hessian" dictRef="me:hessian">
           <matrix rows="15" matrixType="squareSymmetricLT" units="Hartree/Bohr2"> 
  1.05891769E+00 -7.17794457E-02  1.13916505E+00  5.33206028E-06 -4.30129185E-07
  1.62435549E-01 -4.28458861E-01  2.99278137E-01 -3.12220210E-06  4.53225558E-01
  2.99233516E-01 -3.49792838E-01  2.73579456E-06 -3.19965200E-01  3.56896927E-01
 -7.09912943E-06  4.10505122E-06 -5.65752357E-02  4.23476406E-06 -2.88929636E-06
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  6.77216459E-02</matrix>
         </property>
        <property title="Vibrational Frequencies" dictRef="me:vibFreqs">
          <array units="cm-1">34.09 42.16 59.84 62.80 83.61 88.97 116.89 122.69 162.35 170.84 221.93 264.12 306.96 356.90 381.13 398.02 415.23 426.47 484.55 505.95 514.84 529.45 537.98 547.80 554.31 562.26 571.93 592.30 611.60 648.84 730.90 743.59 912.34 915.31 930.97 991.72 1043.82 1077.00 1094.63 1108.03 1147.65 1182.31 1208.58 1216.89 1253.44 1303.31 1314.36 1386.88 1405.36 1427.81 1480.34 1584.78 1637.68 1841.86 3261.73 3392.92 3569.90 3590.28 3829.87 </array>
        </property>
        <property title="ImaginaryFrequency" dictRef="me:imFreqs">
          <scalar units="cm-1">368.93</scalar>
        </property>
        <property title="Rotational Constants" dictRef="me:rotConsts">
          <array units="cm-1">0.01927    0.01184  0.00846</array>
        </property>
        <property title="Symmetry Number" dictRef="me:symmetryNumber">
          <scalar>1</scalar>
        </property>
        <property dictRef="me:frequenciesScaleFactor" default="true">
          <scalar>1</scalar>
        </property>
      </propertyList>
      <me:DOSCMethod default="true" name="ClassicalRotors" />
    </molecule>
  </moleculeList>
  <reactionList>
    <reaction id="R1" reversible="true">
      <reactantList>
        <reactant>
          <molecule ref="(H2SO4)2-H2O" role="deficientReactant" />
        </reactant>
        <reactant>
          <molecule ref="HNSO2" role="excessReactant" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="kuo-IM_SD1" role="modelled" />
        </product>
      </productList>
      <me:MCRCMethod xsi:type="me:MesmerILT">
        <me:preExponential units="cm3molecule-1s-1">2.24e-13</me:preExponential>
        <me:activationEnergy units="kcal/mol">0.0</me:activationEnergy>
        <me:TInfinity>298.0</me:TInfinity>
        <me:nInfinity>-0.5</me:nInfinity>
      </me:MCRCMethod>
      <me:excessReactantConc>3.0E8</me:excessReactantConc>
      <me:TInfinity default="true">298</me:TInfinity>
    </reaction>
    <reaction id="R2">
      <reactantList>
        <reactant>
          <molecule ref="kuo-IM_SD1" role="modelled" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IM" role="modelled" />
        </product>
      </productList>
      <me:transitionState>
        <molecule ref="kuo-TS_SD1" role="transitionState" />
      </me:transitionState>
      <me:tunneling name="Eckart" />
      <me:MCRCMethod name="simpleRRKM" />
    </reaction>
    <reaction id="R3">
      <reactantList>
        <reactant>
          <molecule ref="IM" role="modelled" />
        </reactant>
      </reactantList>
      <productList>
        <product>
          <molecule ref="IMF" role="modelled" />
        </product>
      </productList>
      <me:transitionState>
        <molecule ref="TS" role="transitionState" />
      </me:transitionState>
      <me:tunneling name="Eckart" />
      <me:MCRCMethod name="simpleRRKM" />
    </reaction>
  </reactionList>
  <me:conditions>
    <me:bathGas>N2</me:bathGas>
    <me:PTs>
      <!--Stan-->
      <me:PTpair units="Torr" P= "760" T= "280" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="(H2SO4)2-H2O" ref2="IMF" refReaction="R1" error="0.22E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "290" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="(H2SO4)2-H2O" ref2="IMF" refReaction="R1" error="0.12E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "298" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="(H2SO4)2-H2O" ref2="IMF" refReaction="R1" error="0.38E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "300" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="(H2SO4)2-H2O" ref2="IMF" refReaction="R1" error="0.38E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "10" T= "310" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="(H2SO4)2-H2O" ref2="IMF" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
      <me:PTpair units="Torr" P= "760" T= "320" precision="d">
        <me:bathGas>N2</me:bathGas>
        <me:experimentalRate ref1="(H2SO4)2-H2O" ref2="IMF" refReaction="R1" error="0.20E-13">5.5E-13 </me:experimentalRate>
      </me:PTpair>
    </me:PTs>
  </me:conditions>
  <me:modelParameters>
    <!--Specify grain size directly...-->
    <me:grainSize units="cm-1">100</me:grainSize>
    <!--...or by the total number of grains
        <me:numberOfGrains> 500 </me:numberOfGrains>-->
    <!--Specify increased energy range
        <me:maxTemperature>6000</me:maxTemperature>-->
    <me:energyAboveTheTopHill>25.0</me:energyAboveTheTopHill>
  </me:modelParameters>
  <me:control>
    <me:testDOS />
    <me:printSpeciesProfile />
    <me:testMicroRates Tstep="1" default="true" Tmin="213" Tmax="320" />
    <me:testRateConstant />
    <me:printGrainDOS />
    <!--<me:printCellDOS />-->
    <!--<me:printReactionOperatorColumnSums />-->
    <!--<me:printTunnellingCoefficients />-->
    <me:printGrainkfE />
    <!--<me:printGrainBoltzmann />-->
    <me:printGrainkbE />
    <me:eigenvalues>0</me:eigenvalues>
    <!-- <me:hideInactive/>  Molecules and reactions with attribute active="false" are not shown-->
    <me:diagramEnergyOffset>0</me:diagramEnergyOffset>
    <!--Adjusts displayed energies to this values for the lowest species. -->
    <me:calcMethod default="true" name="simpleCalc" />
    <me:ForceMacroDetailedBalance default="true">true</me:ForceMacroDetailedBalance>
  </me:control>
  <metadataList xmlns:dc="http://purl.org/dc/elements/1.1/">
    <dc:title>Project name</dc:title>
    <dc:source>HNSO2_(H2SO4)2-H2O _NH2SO3H_(H2SO4)2.xml</dc:source>
    <dc:creator>Mesmer v6.0</dc:creator>
    <dc:date>20210327_111003</dc:date>
    <dc:contributor>Bala</dc:contributor>
  </metadataList>
</me:mesmer>