<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:o="http://www.iochem-bd.org/dictionary/orca/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="orca.log">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Orca</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string" id="copy.0">6.0.0</scalar>
               </parameter>
               <parameter dictRef="cc:programSubversion">
                  <scalar dataType="xsd:string" id="copy.1">RELEASE</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <module cmlx:templateRef="basis">
                  <list cmlx:templateRef="group">
                     <array dataType="xsd:integer" dictRef="o:group" size="4">1 2 3 4</array>
                     <array dataType="xsd:string" dictRef="o:primitive" size="4">11s6p2d1f 11s6p2d1f 14s9p3d1f 11s6p2d1f</array>
                     <array dataType="xsd:string" dictRef="o:contraction" size="4">5s3p2d1f 5s3p2d1f 5s5p3d1f 5s3p2d1f</array>
                  </list>
                  <list dictRef="atombasis">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="20">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="20">C C F F C C F C F F F F F F F F S O O O</array>
                     <array dataType="xsd:integer" dictRef="o:group" size="20">1 1 2 2 1 1 2 1 2 2 2 2 2 2 2 2 3 4 4 4</array>
                  </list>
               </module>
            </parameterList>
            <molecule id="molecule">
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="-1.87626"
                        y3="0.74427"
                        z3="-0.2687"/>
                  <atom elementType="C"
                        id="a2"
                        x3="-0.33432"
                        y3="0.74742"
                        z3="0.01246"/>
                  <atom elementType="F"
                        id="a3"
                        x3="-2.47407"
                        y3="-0.28914"
                        z3="0.36915"/>
                  <atom elementType="F"
                        id="a4"
                        x3="-2.09313"
                        y3="0.62552"
                        z3="-1.59928"/>
                  <atom elementType="C"
                        id="a5"
                        x3="-2.61495"
                        y3="2.04213"
                        z3="0.19371"/>
                  <atom elementType="C"
                        id="a6"
                        x3="0.32292"
                        y3="-0.67815"
                        z3="-0.03921"/>
                  <atom elementType="F"
                        id="a7"
                        x3="-0.01736"
                        y3="-1.30688"
                        z3="1.10777"/>
                  <atom elementType="C"
                        id="a8"
                        x3="1.87032"
                        y3="-0.66095"
                        z3="-0.20696"/>
                  <atom elementType="F"
                        id="a9"
                        x3="-0.2427"
                        y3="-1.33318"
                        z3="-1.08637"/>
                  <atom elementType="F"
                        id="a10"
                        x3="-0.14519"
                        y3="1.29389"
                        z3="1.24056"/>
                  <atom elementType="F"
                        id="a11"
                        x3="0.23455"
                        y3="1.55986"
                        z3="-0.91148"/>
                  <atom elementType="F"
                        id="a12"
                        x3="-2.70161"
                        y3="2.11372"
                        z3="1.52766"/>
                  <atom elementType="F"
                        id="a13"
                        x3="-3.86842"
                        y3="2.03145"
                        z3="-0.30171"/>
                  <atom elementType="F"
                        id="a14"
                        x3="-1.99398"
                        y3="3.14087"
                        z3="-0.26172"/>
                  <atom elementType="F"
                        id="a15"
                        x3="2.35904"
                        y3="0.34617"
                        z3="0.57978"/>
                  <atom elementType="F"
                        id="a16"
                        x3="2.13618"
                        y3="-0.33515"
                        z3="-1.50203"/>
                  <atom elementType="S"
                        id="a17"
                        x3="2.75083"
                        y3="-2.31255"
                        z3="0.23678"/>
                  <atom elementType="O"
                        id="a18"
                        x3="4.08746"
                        y3="-2.0911"
                        z3="-0.36115"/>
                  <atom elementType="O"
                        id="a19"
                        x3="1.89635"
                        y3="-3.31321"
                        z3="-0.44543"/>
                  <atom elementType="O"
                        id="a20"
                        x3="2.70432"
                        y3="-2.32496"
                        z3="1.7162"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a10" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a5 a13" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a8 a15" order="S"/>
                  <bond atomRefs2="a8 a16" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
               </bondArray>
               <formula concise="C5F11O3S">
                  <atomArray count="5 11 3 1" elementType="C F O S"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">349.0991351999998</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/C5F11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:2,1,6,5,8,10,11,3,4,7,9,12,13,14,15,16,18,19,20,17/E:(6,7)(8,9)(10,11)(12,13,14)(15,16)(17,18,19)/CRV:17.1,18.1,19.1/rA:20nCCFFCCFCFFFFFFFFSO1O1O1/rB:s1;s1;s1;s1;s2;s6;s6;s6;s2;s2;s5;s5;s5;s8;s8;s8;s17;s17;s17;/rC:-1.8763,.7443,-.2687;-.3343,.7474,.0125;-2.4741,-.2891,.3691;-2.0931,.6255,-1.5993;-2.6149,2.0421,.1937;.3229,-.6782,-.0392;-.0174,-1.3069,1.1078;1.8703,-.661,-.207;-.2427,-1.3332,-1.0864;-.1452,1.2939,1.2406;.2346,1.5599,-.9115;-2.7016,2.1137,1.5277;-3.8684,2.0314,-.3017;-1.994,3.1409,-.2617;2.359,.3462,.5798;2.1362,-.3352,-1.502;2.7508,-2.3125,.2368;4.0875,-2.0911,-.3612;1.8963,-3.3132,-.4454;2.7043,-2.325,1.7162;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="scfsettings" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="section" name="Hamiltonian">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Method</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">DFT(GTOs)</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Exchange</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">B88</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">XAlpha</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.666667</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">XBeta</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.004200</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Correlation</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">LYP</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LDAOpt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">VWN-5</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">PostSCFGGA</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">Hybrid DFT is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalHFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.200000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.720000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.810000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalLDAC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Perturbative correction</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NL short-range parameter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">4.800000</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">RI-approximation to the Coulomb term is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">functions</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">982</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">RIJ-COSX (HFX calculated with COS-X))</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="General Settings">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">IntName</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">PFPeS_P2A_S_Reactant</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">HFTyp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">UHF</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Charge</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">-1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Mult</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NEL</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">170</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">631</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2231.9417019744 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Acceleration">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDIIS</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxIt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">12</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISStart</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.200000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxEq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISBfac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.050</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVKDIIS</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVTRAH</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">auto</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start mean grad. ratio tolernc.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.125000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start start iteration</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">50</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start num. interpolation iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">24</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Maxiter - #DIIS iter</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of Davidson start vectors</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold    (grad. norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.000e-06</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Micro threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.100</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum threshold for Micro iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-02</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NR start threshold (gradient norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-04</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Initial trust radius</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.400</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1000.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Quad. conv. algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">NR</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">David. guess</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum white noise</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Pseudo random numbers</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Inactive MOs</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">canonical</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Orbital update algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Taylor</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Preconditioner</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Diag</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Full preconditioner red. dimension</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">250</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVSOSCF</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SOSCFMaxIt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">150</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SOSCFStart</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.003300</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SOSCFHessUp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">L-BFGS</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LevelShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.2500</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ShiftErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVZerner</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDamp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampFac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.7000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMax</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.9800</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMin</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.1000</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="SCF Procedure">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">MaxIter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">125</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SCFMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Direct</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Integral package</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">SHARK and LIBINT hybrid scheme</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DirectResetFreq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">20</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Thresh</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-12 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TCut</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-14 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Tolerance">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvCheckMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Total+1el-Energy</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvForced</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-09 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">1-El. energy change</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-06 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolG</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.000e-06</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.000e-06</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="scfsettings" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="section" name="Hamiltonian">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Method</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">DFT(GTOs)</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Exchange</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">B88</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">XAlpha</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.666667</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">XBeta</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.004200</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Correlation</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">LYP</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LDAOpt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">VWN-5</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">PostSCFGGA</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">Hybrid DFT is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalHFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.200000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.720000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.810000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalLDAC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Perturbative correction</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NL short-range parameter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">4.800000</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">RI-approximation to the Coulomb term is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">functions</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">982</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">RIJ-COSX (HFX calculated with COS-X))</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="General Settings">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">IntName</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">PFPeS_P2A_S_Reactant</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">HFTyp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">UHF</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Charge</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">-1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Mult</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NEL</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">170</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">631</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2243.4863573005 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Acceleration">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDIIS</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxIt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">12</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISStart</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.200000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxEq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISBfac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.050</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVKDIIS</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVTRAH</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">auto</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start mean grad. ratio tolernc.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.125000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start start iteration</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start num. interpolation iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">24</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Maxiter - #DIIS iter</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of Davidson start vectors</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold    (grad. norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.000e-06</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Micro threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.100</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum threshold for Micro iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-02</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NR start threshold (gradient norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-04</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Initial trust radius</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.400</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1000.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Quad. conv. algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">NR</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">David. guess</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum white noise</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Pseudo random numbers</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Inactive MOs</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">canonical</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Orbital update algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Taylor</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Preconditioner</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Diag</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Full preconditioner red. dimension</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">250</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVSOSCF</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SOSCFMaxIt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">150</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SOSCFStart</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.003300</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SOSCFHessUp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">L-BFGS</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LevelShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.2500</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ShiftErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVZerner</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDamp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampFac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.7000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMax</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.9800</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMin</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.1000</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="SCF Procedure">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">MaxIter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">125</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SCFMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Direct</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Integral package</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">SHARK and LIBINT hybrid scheme</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DirectResetFreq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">20</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Thresh</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-12 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TCut</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-14 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Tolerance">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvCheckMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Total+1el-Energy</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvForced</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-09 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">1-El. energy change</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-06 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolG</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.000e-06</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.000e-06</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="input" id="initialization">
                  <module cmlx:templateRef="job">
                     <molecule id="initial">
                        <atomArray>
                           <atom elementType="C"
                                 id="a1"
                                 x3="-1.87626"
                                 y3="0.74427"
                                 z3="-0.2687">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a2"
                                 x3="-0.33432"
                                 y3="0.74742"
                                 z3="0.01246">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="F"
                                 id="a3"
                                 x3="-2.47407"
                                 y3="-0.28914"
                                 z3="0.36915">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">9</scalar>
                           </atom>
                           <atom elementType="F"
                                 id="a4"
                                 x3="-2.09313"
                                 y3="0.62552"
                                 z3="-1.59928">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">9</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="-2.61495"
                                 y3="2.04213"
                                 z3="0.19371">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="0.32292"
                                 y3="-0.67815"
                                 z3="-0.03921">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="F"
                                 id="a7"
                                 x3="-0.01736"
                                 y3="-1.30688"
                                 z3="1.10777">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">9</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="1.87032"
                                 y3="-0.66095"
                                 z3="-0.20696">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="F"
                                 id="a9"
                                 x3="-0.2427"
                                 y3="-1.33318"
                                 z3="-1.08637">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">9</scalar>
                           </atom>
                           <atom elementType="F"
                                 id="a10"
                                 x3="-0.14519"
                                 y3="1.29389"
                                 z3="1.24056">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">9</scalar>
                           </atom>
                           <atom elementType="F"
                                 id="a11"
                                 x3="0.23455"
                                 y3="1.55986"
                                 z3="-0.91148">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">9</scalar>
                           </atom>
                           <atom elementType="F"
                                 id="a12"
                                 x3="-2.70161"
                                 y3="2.11372"
                                 z3="1.52766">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">9</scalar>
                           </atom>
                           <atom elementType="F"
                                 id="a13"
                                 x3="-3.86842"
                                 y3="2.03145"
                                 z3="-0.30171">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">9</scalar>
                           </atom>
                           <atom elementType="F"
                                 id="a14"
                                 x3="-1.99398"
                                 y3="3.14087"
                                 z3="-0.26172">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">9</scalar>
                           </atom>
                           <atom elementType="F"
                                 id="a15"
                                 x3="2.35904"
                                 y3="0.34617"
                                 z3="0.57978">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">9</scalar>
                           </atom>
                           <atom elementType="F"
                                 id="a16"
                                 x3="2.13618"
                                 y3="-0.33515"
                                 z3="-1.50203">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">9</scalar>
                           </atom>
                           <atom elementType="S"
                                 id="a17"
                                 x3="2.75083"
                                 y3="-2.31255"
                                 z3="0.23678">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">16</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a18"
                                 x3="4.08746"
                                 y3="-2.0911"
                                 z3="-0.36115">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a19"
                                 x3="1.89635"
                                 y3="-3.31321"
                                 z3="-0.44543">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.70432"
                                 y3="-2.32496"
                                 z3="1.7162">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a2 a10" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a9" order="S"/>
                           <bond atomRefs2="a8 a15" order="S"/>
                           <bond atomRefs2="a8 a16" order="S"/>
                           <bond atomRefs2="a8 a17" order="S"/>
                           <bond atomRefs2="a17 a20" order="S"/>
                           <bond atomRefs2="a17 a18" order="S"/>
                           <bond atomRefs2="a17 a19" order="S"/>
                        </bondArray>
                        <formula concise="C5F11O3S">
                           <atomArray count="5 11 3 1" elementType="C F O S"/>
                        </formula>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">349.0991351999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/C5F11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:2,1,6,5,8,10,11,3,4,7,9,12,13,14,15,16,18,19,20,17/E:(6,7)(8,9)(10,11)(12,13,14)(15,16)(17,18,19)/CRV:17.1,18.1,19.1/rA:20nCCFFCCFCFFFFFFFFSO1O1O1/rB:s1;s1;s1;s1;s2;s6;s6;s6;s2;s2;s5;s5;s5;s8;s8;s8;s17;s17;s17;/rC:-1.8763,.7443,-.2687;-.3343,.7474,.0125;-2.4741,-.2891,.3691;-2.0931,.6255,-1.5993;-2.6149,2.0421,.1937;.3229,-.6782,-.0392;-.0174,-1.3069,1.1078;1.8703,-.661,-.207;-.2427,-1.3332,-1.0864;-.1452,1.2939,1.2406;.2346,1.5599,-.9115;-2.7016,2.1137,1.5277;-3.8684,2.0314,-.3017;-1.994,3.1409,-.2617;2.359,.3462,.5798;2.1362,-.3352,-1.502;2.7508,-2.3125,.2368;4.0875,-2.0911,-.3612;1.8963,-3.3132,-.4454;2.7043,-2.325,1.7162;</scalar>
                        </formula>
                     </molecule>
                     <scalar dataType="xsd:integer" dictRef="o:charge">-1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:multiplicity">1</scalar>
                     <array dataType="xsd:string" dictRef="cc:keywords" size="9">B3LYP D3BJ TightOpt Freq def2-TZVPP def2/J RIJCOSX VeryTightSCF defgrid3</array>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">maxcore</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters">3200</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter"/>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">pal</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters">nprocs 16</scalar>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">scf</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters">HFTyp UKS</scalar>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">geom</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"/>
                        <scalar dataType="xsd:string" dictRef="o:parameter">Calc_Hess true</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">Recalc_Hess 20</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">maxIter 200</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">maxStep 0.2</scalar>
                     </module>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefined" id="otherComponents">
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-1.870748"
                              y3="0.740889"
                              z3="-0.266524"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.330013"
                              y3="0.740114"
                              z3="0.016058"/>
                        <atom elementType="F"
                              id="a3"
                              x3="-2.472416"
                              y3="-0.285447"
                              z3="0.368474"/>
                        <atom elementType="F"
                              id="a4"
                              x3="-2.085253"
                              y3="0.618449"
                              z3="-1.592257"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.606501"
                              y3="2.040817"
                              z3="0.190419"/>
                        <atom elementType="C"
                              id="a6"
                              x3="0.322048"
                              y3="-0.686985"
                              z3="-0.034601"/>
                        <atom elementType="F"
                              id="a7"
                              x3="-0.02752"
                              y3="-1.31076"
                              z3="1.106653"/>
                        <atom elementType="C"
                              id="a8"
                              x3="1.870516"
                              y3="-0.673518"
                              z3="-0.201453"/>
                        <atom elementType="F"
                              id="a9"
                              x3="-0.240876"
                              y3="-1.340495"
                              z3="-1.07755"/>
                        <atom elementType="F"
                              id="a10"
                              x3="-0.138915"
                              y3="1.282192"
                              z3="1.240297"/>
                        <atom elementType="F"
                              id="a11"
                              x3="0.237233"
                              y3="1.552651"
                              z3="-0.901093"/>
                        <atom elementType="F"
                              id="a12"
                              x3="-2.692661"
                              y3="2.116304"
                              z3="1.519282"/>
                        <atom elementType="F"
                              id="a13"
                              x3="-3.85472"
                              y3="2.029917"
                              z3="-0.303037"/>
                        <atom elementType="F"
                              id="a14"
                              x3="-1.989042"
                              y3="3.135024"
                              z3="-0.265326"/>
                        <atom elementType="F"
                              id="a15"
                              x3="2.358358"
                              y3="0.335399"
                              z3="0.576981"/>
                        <atom elementType="F"
                              id="a16"
                              x3="2.125933"
                              y3="-0.341919"
                              z3="-1.494569"/>
                        <atom elementType="S"
                              id="a17"
                              x3="2.74145"
                              y3="-2.293083"
                              z3="0.23024"/>
                        <atom elementType="O"
                              id="a18"
                              x3="4.050395"
                              y3="-2.075164"
                              z3="-0.348174"/>
                        <atom elementType="O"
                              id="a19"
                              x3="1.912079"
                              y3="-3.274424"
                              z3="-0.440376"/>
                        <atom elementType="O"
                              id="a20"
                              x3="2.690633"
                              y3="-2.309931"
                              z3="1.676586"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a2 a11" order="S"/>
                        <bond atomRefs2="a5 a12" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a5 a13" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a8 a15" order="S"/>
                        <bond atomRefs2="a8 a16" order="S"/>
                        <bond atomRefs2="a8 a17" order="S"/>
                        <bond atomRefs2="a17 a20" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                     </bondArray>
                     <formula concise="C5F11O3S">
                        <atomArray count="5 11 3 1" elementType="C F O S"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">349.0991351999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5F11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:2,1,6,5,8,10,11,3,4,7,9,12,13,14,15,16,18,19,20,17/E:(6,7)(8,9)(10,11)(12,13,14)(15,16)(17,18,19)/CRV:17.1,18.1,19.1/rA:20nCCFFCCFCFFFFFFFFSO1O1O1/rB:s1;s1;s1;s1;s2;s6;s6;s6;s2;s2;s5;s5;s5;s8;s8;s8;s17;s17;s17;/rC:-1.8707,.7409,-.2665;-.33,.7401,.0161;-2.4724,-.2854,.3685;-2.0853,.6184,-1.5923;-2.6065,2.0408,.1904;.322,-.687,-.0346;-.0275,-1.3108,1.1067;1.8705,-.6735,-.2015;-.2409,-1.3405,-1.0776;-.1389,1.2822,1.2403;.2372,1.5527,-.9011;-2.6927,2.1163,1.5193;-3.8547,2.0299,-.303;-1.989,3.135,-.2653;2.3584,.3354,.577;2.1259,-.3419,-1.4946;2.7414,-2.2931,.2302;4.0504,-2.0752,-.3482;1.9121,-3.2744,-.4404;2.6906,-2.3099,1.6766;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-1.871059"
                              y3="0.741124"
                              z3="-0.265161"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.330461"
                              y3="0.739653"
                              z3="0.017692"/>
                        <atom elementType="F"
                              id="a3"
                              x3="-2.473766"
                              y3="-0.283833"
                              z3="0.371037"/>
                        <atom elementType="F"
                              id="a4"
                              x3="-2.08511"
                              y3="0.616847"
                              z3="-1.590813"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.606283"
                              y3="2.042136"
                              z3="0.189424"/>
                        <atom elementType="C"
                              id="a6"
                              x3="0.321308"
                              y3="-0.687624"
                              z3="-0.034258"/>
                        <atom elementType="F"
                              id="a7"
                              x3="-0.028564"
                              y3="-1.312193"
                              z3="1.106358"/>
                        <atom elementType="C"
                              id="a8"
                              x3="1.869806"
                              y3="-0.673656"
                              z3="-0.20232"/>
                        <atom elementType="F"
                              id="a9"
                              x3="-0.241624"
                              y3="-1.34066"
                              z3="-1.077455"/>
                        <atom elementType="F"
                              id="a10"
                              x3="-0.139041"
                              y3="1.280049"
                              z3="1.242561"/>
                        <atom elementType="F"
                              id="a11"
                              x3="0.236898"
                              y3="1.553131"
                              z3="-0.898552"/>
                        <atom elementType="F"
                              id="a12"
                              x3="-2.690726"
                              y3="2.120884"
                              z3="1.518234"/>
                        <atom elementType="F"
                              id="a13"
                              x3="-3.8551"
                              y3="2.029712"
                              z3="-0.302416"/>
                        <atom elementType="F"
                              id="a14"
                              x3="-1.989589"
                              y3="3.135337"
                              z3="-0.26967"/>
                        <atom elementType="F"
                              id="a15"
                              x3="2.35861"
                              y3="0.336016"
                              z3="0.574123"/>
                        <atom elementType="F"
                              id="a16"
                              x3="2.123224"
                              y3="-0.343149"
                              z3="-1.496019"/>
                        <atom elementType="S"
                              id="a17"
                              x3="2.742571"
                              y3="-2.293001"
                              z3="0.229793"/>
                        <atom elementType="O"
                              id="a18"
                              x3="4.056522"
                              y3="-2.070738"
                              z3="-0.344443"/>
                        <atom elementType="O"
                              id="a19"
                              x3="1.915994"
                              y3="-3.277143"
                              z3="-0.447437"/>
                        <atom elementType="O"
                              id="a20"
                              x3="2.68637"
                              y3="-2.312862"
                              z3="1.679354"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a2 a11" order="S"/>
                        <bond atomRefs2="a5 a12" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a5 a13" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a8 a15" order="S"/>
                        <bond atomRefs2="a8 a16" order="S"/>
                        <bond atomRefs2="a8 a17" order="S"/>
                        <bond atomRefs2="a17 a20" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                     </bondArray>
                     <formula concise="C5F11O3S">
                        <atomArray count="5 11 3 1" elementType="C F O S"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">349.0991351999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5F11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:2,1,6,5,8,10,11,3,4,7,9,12,13,14,15,16,18,19,20,17/E:(6,7)(8,9)(10,11)(12,13,14)(15,16)(17,18,19)/CRV:17.1,18.1,19.1/rA:20nCCFFCCFCFFFFFFFFSO1O1O1/rB:s1;s1;s1;s1;s2;s6;s6;s6;s2;s2;s5;s5;s5;s8;s8;s8;s17;s17;s17;/rC:-1.8711,.7411,-.2652;-.3305,.7397,.0177;-2.4738,-.2838,.371;-2.0851,.6168,-1.5908;-2.6063,2.0421,.1894;.3213,-.6876,-.0343;-.0286,-1.3122,1.1064;1.8698,-.6737,-.2023;-.2416,-1.3407,-1.0775;-.139,1.28,1.2426;.2369,1.5531,-.8986;-2.6907,2.1209,1.5182;-3.8551,2.0297,-.3024;-1.9896,3.1353,-.2697;2.3586,.336,.5741;2.1232,-.3431,-1.496;2.7426,-2.293,.2298;4.0565,-2.0707,-.3444;1.916,-3.2771,-.4474;2.6864,-2.3129,1.6794;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-1.871413"
                              y3="0.741119"
                              z3="-0.26411"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.330713"
                              y3="0.739236"
                              z3="0.017953"/>
                        <atom elementType="F"
                              id="a3"
                              x3="-2.474286"
                              y3="-0.282739"
                              z3="0.373747"/>
                        <atom elementType="F"
                              id="a4"
                              x3="-2.086203"
                              y3="0.615229"
                              z3="-1.589508"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.605889"
                              y3="2.04305"
                              z3="0.189075"/>
                        <atom elementType="C"
                              id="a6"
                              x3="0.320872"
                              y3="-0.688145"
                              z3="-0.034244"/>
                        <atom elementType="F"
                              id="a7"
                              x3="-0.02906"
                              y3="-1.312829"
                              z3="1.106299"/>
                        <atom elementType="C"
                              id="a8"
                              x3="1.869363"
                              y3="-0.674145"
                              z3="-0.202632"/>
                        <atom elementType="F"
                              id="a9"
                              x3="-0.242196"
                              y3="-1.341224"
                              z3="-1.07738"/>
                        <atom elementType="F"
                              id="a10"
                              x3="-0.138589"
                              y3="1.279516"
                              z3="1.242778"/>
                        <atom elementType="F"
                              id="a11"
                              x3="0.236367"
                              y3="1.552635"
                              z3="-0.898566"/>
                        <atom elementType="F"
                              id="a12"
                              x3="-2.688565"
                              y3="2.124388"
                              z3="1.517852"/>
                        <atom elementType="F"
                              id="a13"
                              x3="-3.855383"
                              y3="2.029722"
                              z3="-0.301083"/>
                        <atom elementType="F"
                              id="a14"
                              x3="-1.989753"
                              y3="3.135346"
                              z3="-0.272941"/>
                        <atom elementType="F"
                              id="a15"
                              x3="2.358272"
                              y3="0.335819"
                              z3="0.573452"/>
                        <atom elementType="F"
                              id="a16"
                              x3="2.122313"
                              y3="-0.343778"
                              z3="-1.496529"/>
                        <atom elementType="S"
                              id="a17"
                              x3="2.743221"
                              y3="-2.292961"
                              z3="0.229431"/>
                        <atom elementType="O"
                              id="a18"
                              x3="4.058853"
                              y3="-2.066906"
                              z3="-0.339127"/>
                        <atom elementType="O"
                              id="a19"
                              x3="1.921243"
                              y3="-3.277151"
                              z3="-0.45306"/>
                        <atom elementType="O"
                              id="a20"
                              x3="2.681524"
                              y3="-2.316151"
                              z3="1.678622"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a2 a11" order="S"/>
                        <bond atomRefs2="a5 a12" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a5 a13" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a8 a15" order="S"/>
                        <bond atomRefs2="a8 a16" order="S"/>
                        <bond atomRefs2="a8 a17" order="S"/>
                        <bond atomRefs2="a17 a20" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                     </bondArray>
                     <formula concise="C5F11O3S">
                        <atomArray count="5 11 3 1" elementType="C F O S"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">349.0991351999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5F11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:2,1,6,5,8,10,11,3,4,7,9,12,13,14,15,16,18,19,20,17/E:(6,7)(8,9)(10,11)(12,13,14)(15,16)(17,18,19)/CRV:17.1,18.1,19.1/rA:20nCCFFCCFCFFFFFFFFSO1O1O1/rB:s1;s1;s1;s1;s2;s6;s6;s6;s2;s2;s5;s5;s5;s8;s8;s8;s17;s17;s17;/rC:-1.8714,.7411,-.2641;-.3307,.7392,.018;-2.4743,-.2827,.3737;-2.0862,.6152,-1.5895;-2.6059,2.0431,.1891;.3209,-.6881,-.0342;-.0291,-1.3128,1.1063;1.8694,-.6741,-.2026;-.2422,-1.3412,-1.0774;-.1386,1.2795,1.2428;.2364,1.5526,-.8986;-2.6886,2.1244,1.5179;-3.8554,2.0297,-.3011;-1.9898,3.1353,-.2729;2.3583,.3358,.5735;2.1223,-.3438,-1.4965;2.7432,-2.293,.2294;4.0589,-2.0669,-.3391;1.9212,-3.2772,-.4531;2.6815,-2.3162,1.6786;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-1.874095"
                              y3="0.740364"
                              z3="-0.256961"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.332097"
                              y3="0.736749"
                              z3="0.016801"/>
                        <atom elementType="F"
                              id="a3"
                              x3="-2.476024"
                              y3="-0.275878"
                              z3="0.393916"/>
                        <atom elementType="F"
                              id="a4"
                              x3="-2.096833"
                              y3="0.602724"
                              z3="-1.579906"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.602887"
                              y3="2.048516"
                              z3="0.187666"/>
                        <atom elementType="C"
                              id="a6"
                              x3="0.318361"
                              y3="-0.691271"
                              z3="-0.034667"/>
                        <atom elementType="F"
                              id="a7"
                              x3="-0.032234"
                              y3="-1.315256"
                              z3="1.105971"/>
                        <atom elementType="C"
                              id="a8"
                              x3="1.867053"
                              y3="-0.677187"
                              z3="-0.203237"/>
                        <atom elementType="F"
                              id="a9"
                              x3="-0.244984"
                              y3="-1.345484"
                              z3="-1.077008"/>
                        <atom elementType="F"
                              id="a10"
                              x3="-0.133406"
                              y3="1.279847"
                              z3="1.239312"/>
                        <atom elementType="F"
                              id="a11"
                              x3="0.231415"
                              y3="1.546998"
                              z3="-0.904765"/>
                        <atom elementType="F"
                              id="a12"
                              x3="-2.67234"
                              y3="2.146991"
                              z3="1.51605"/>
                        <atom elementType="F"
                              id="a13"
                              x3="-3.857261"
                              y3="2.02986"
                              z3="-0.289801"/>
                        <atom elementType="F"
                              id="a14"
                              x3="-1.990696"
                              y3="3.13435"
                              z3="-0.294347"/>
                        <atom elementType="F"
                              id="a15"
                              x3="2.355227"
                              y3="0.332744"
                              z3="0.573492"/>
                        <atom elementType="F"
                              id="a16"
                              x3="2.119718"
                              y3="-0.346011"
                              z3="-1.497129"/>
                        <atom elementType="S"
                              id="a17"
                              x3="2.746121"
                              y3="-2.292379"
                              z3="0.226939"/>
                        <atom elementType="O"
                              id="a18"
                              x3="4.073693"
                              y3="-2.040046"
                              z3="-0.300843"/>
                        <atom elementType="O"
                              id="a19"
                              x3="1.955985"
                              y3="-3.274444"
                              z3="-0.494351"/>
                        <atom elementType="O"
                              id="a20"
                              x3="2.645264"
                              y3="-2.341156"
                              z3="1.6729"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a2 a11" order="S"/>
                        <bond atomRefs2="a5 a12" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a5 a13" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a8 a15" order="S"/>
                        <bond atomRefs2="a8 a16" order="S"/>
                        <bond atomRefs2="a8 a17" order="S"/>
                        <bond atomRefs2="a17 a20" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                     </bondArray>
                     <formula concise="C5F11O3S">
                        <atomArray count="5 11 3 1" elementType="C F O S"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">349.0991351999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5F11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:2,1,6,5,8,10,11,3,4,7,9,12,13,14,15,16,18,19,20,17/E:(6,7)(8,9)(10,11)(12,13,14)(15,16)(17,18,19)/CRV:17.1,18.1,19.1/rA:20nCCFFCCFCFFFFFFFFSO1O1O1/rB:s1;s1;s1;s1;s2;s6;s6;s6;s2;s2;s5;s5;s5;s8;s8;s8;s17;s17;s17;/rC:-1.8741,.7404,-.257;-.3321,.7367,.0168;-2.476,-.2759,.3939;-2.0968,.6027,-1.5799;-2.6029,2.0485,.1877;.3184,-.6913,-.0347;-.0322,-1.3153,1.106;1.8671,-.6772,-.2032;-.245,-1.3455,-1.077;-.1334,1.2798,1.2393;.2314,1.547,-.9048;-2.6723,2.147,1.516;-3.8573,2.0299,-.2898;-1.9907,3.1343,-.2943;2.3552,.3327,.5735;2.1197,-.346,-1.4971;2.7461,-2.2924,.2269;4.0737,-2.04,-.3008;1.956,-3.2744,-.4944;2.6453,-2.3412,1.6729;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-1.87426"
                              y3="0.740073"
                              z3="-0.257049"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.331979"
                              y3="0.737436"
                              z3="0.015552"/>
                        <atom elementType="F"
                              id="a3"
                              x3="-2.475198"
                              y3="-0.276174"
                              z3="0.394696"/>
                        <atom elementType="F"
                              id="a4"
                              x3="-2.098011"
                              y3="0.601762"
                              z3="-1.579734"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.603227"
                              y3="2.048082"
                              z3="0.187752"/>
                        <atom elementType="C"
                              id="a6"
                              x3="0.318835"
                              y3="-0.690429"
                              z3="-0.034234"/>
                        <atom elementType="F"
                              id="a7"
                              x3="-0.031968"
                              y3="-1.31321"
                              z3="1.107027"/>
                        <atom elementType="C"
                              id="a8"
                              x3="1.867535"
                              y3="-0.676692"
                              z3="-0.202047"/>
                        <atom elementType="F"
                              id="a9"
                              x3="-0.24416"
                              y3="-1.345591"
                              z3="-1.076149"/>
                        <atom elementType="F"
                              id="a10"
                              x3="-0.132635"
                              y3="1.282647"
                              z3="1.237029"/>
                        <atom elementType="F"
                              id="a11"
                              x3="0.230608"
                              y3="1.546397"
                              z3="-0.907681"/>
                        <atom elementType="F"
                              id="a12"
                              x3="-2.672567"
                              y3="2.146279"
                              z3="1.516142"/>
                        <atom elementType="F"
                              id="a13"
                              x3="-3.857628"
                              y3="2.029425"
                              z3="-0.289612"/>
                        <atom elementType="F"
                              id="a14"
                              x3="-1.991176"
                              y3="3.134058"
                              z3="-0.294125"/>
                        <atom elementType="F"
                              id="a15"
                              x3="2.355454"
                              y3="0.332034"
                              z3="0.57641"/>
                        <atom elementType="F"
                              id="a16"
                              x3="2.121304"
                              y3="-0.343904"
                              z3="-1.495303"/>
                        <atom elementType="S"
                              id="a17"
                              x3="2.745806"
                              y3="-2.293267"
                              z3="0.226331"/>
                        <atom elementType="O"
                              id="a18"
                              x3="4.073483"
                              y3="-2.041317"
                              z3="-0.301262"/>
                        <atom elementType="O"
                              id="a19"
                              x3="1.954757"
                              y3="-3.273821"
                              z3="-0.496079"/>
                        <atom elementType="O"
                              id="a20"
                              x3="2.645007"
                              y3="-2.343756"
                              z3="1.672366"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a2 a11" order="S"/>
                        <bond atomRefs2="a5 a12" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a5 a13" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a8 a15" order="S"/>
                        <bond atomRefs2="a8 a16" order="S"/>
                        <bond atomRefs2="a8 a17" order="S"/>
                        <bond atomRefs2="a17 a20" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                     </bondArray>
                     <formula concise="C5F11O3S">
                        <atomArray count="5 11 3 1" elementType="C F O S"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">349.0991351999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5F11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:2,1,6,5,8,10,11,3,4,7,9,12,13,14,15,16,18,19,20,17/E:(6,7)(8,9)(10,11)(12,13,14)(15,16)(17,18,19)/CRV:17.1,18.1,19.1/rA:20nCCFFCCFCFFFFFFFFSO1O1O1/rB:s1;s1;s1;s1;s2;s6;s6;s6;s2;s2;s5;s5;s5;s8;s8;s8;s17;s17;s17;/rC:-1.8743,.7401,-.257;-.332,.7374,.0156;-2.4752,-.2762,.3947;-2.098,.6018,-1.5797;-2.6032,2.0481,.1878;.3188,-.6904,-.0342;-.032,-1.3132,1.107;1.8675,-.6767,-.202;-.2442,-1.3456,-1.0761;-.1326,1.2826,1.237;.2306,1.5464,-.9077;-2.6726,2.1463,1.5161;-3.8576,2.0294,-.2896;-1.9912,3.1341,-.2941;2.3555,.332,.5764;2.1213,-.3439,-1.4953;2.7458,-2.2933,.2263;4.0735,-2.0413,-.3013;1.9548,-3.2738,-.4961;2.645,-2.3438,1.6724;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-1.874342"
                              y3="0.739621"
                              z3="-0.256745"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.331793"
                              y3="0.738141"
                              z3="0.014717"/>
                        <atom elementType="F"
                              id="a3"
                              x3="-2.474275"
                              y3="-0.276184"
                              z3="0.396587"/>
                        <atom elementType="F"
                              id="a4"
                              x3="-2.099077"
                              y3="0.599709"
                              z3="-1.579081"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.603575"
                              y3="2.047757"
                              z3="0.187235"/>
                        <atom elementType="C"
                              id="a6"
                              x3="0.31942"
                              y3="-0.689581"
                              z3="-0.033183"/>
                        <atom elementType="F"
                              id="a7"
                              x3="-0.031408"
                              y3="-1.310977"
                              z3="1.108861"/>
                        <atom elementType="C"
                              id="a8"
                              x3="1.868127"
                              y3="-0.676168"
                              z3="-0.200439"/>
                        <atom elementType="F"
                              id="a9"
                              x3="-0.243376"
                              y3="-1.345888"
                              z3="-1.074437"/>
                        <atom elementType="F"
                              id="a10"
                              x3="-0.131794"
                              y3="1.285694"
                              z3="1.235045"/>
                        <atom elementType="F"
                              id="a11"
                              x3="0.229779"
                              y3="1.545705"
                              z3="-0.910334"/>
                        <atom elementType="F"
                              id="a12"
                              x3="-2.672576"
                              y3="2.146839"
                              z3="1.515573"/>
                        <atom elementType="F"
                              id="a13"
                              x3="-3.858092"
                              y3="2.028459"
                              z3="-0.289772"/>
                        <atom elementType="F"
                              id="a14"
                              x3="-1.991933"
                              y3="3.133557"
                              z3="-0.295561"/>
                        <atom elementType="F"
                              id="a15"
                              x3="2.355988"
                              y3="0.330996"
                              z3="0.580045"/>
                        <atom elementType="F"
                              id="a16"
                              x3="2.12273"
                              y3="-0.34131"
                              z3="-1.492986"/>
                        <atom elementType="S"
                              id="a17"
                              x3="2.745259"
                              y3="-2.294107"
                              z3="0.225044"/>
                        <atom elementType="O"
                              id="a18"
                              x3="4.073427"
                              y3="-2.04193"
                              z3="-0.301377"/>
                        <atom elementType="O"
                              id="a19"
                              x3="1.953702"
                              y3="-3.2723"
                              z3="-0.500085"/>
                        <atom elementType="O"
                              id="a20"
                              x3="2.643788"
                              y3="-2.348002"
                              z3="1.670925"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a2 a11" order="S"/>
                        <bond atomRefs2="a5 a12" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a5 a13" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a8 a15" order="S"/>
                        <bond atomRefs2="a8 a16" order="S"/>
                        <bond atomRefs2="a8 a17" order="S"/>
                        <bond atomRefs2="a17 a20" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                     </bondArray>
                     <formula concise="C5F11O3S">
                        <atomArray count="5 11 3 1" elementType="C F O S"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">349.0991351999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5F11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:2,1,6,5,8,10,11,3,4,7,9,12,13,14,15,16,18,19,20,17/E:(6,7)(8,9)(10,11)(12,13,14)(15,16)(17,18,19)/CRV:17.1,18.1,19.1/rA:20nCCFFCCFCFFFFFFFFSO1O1O1/rB:s1;s1;s1;s1;s2;s6;s6;s6;s2;s2;s5;s5;s5;s8;s8;s8;s17;s17;s17;/rC:-1.8743,.7396,-.2567;-.3318,.7381,.0147;-2.4743,-.2762,.3966;-2.0991,.5997,-1.5791;-2.6036,2.0478,.1872;.3194,-.6896,-.0332;-.0314,-1.311,1.1089;1.8681,-.6762,-.2004;-.2434,-1.3459,-1.0744;-.1318,1.2857,1.235;.2298,1.5457,-.9103;-2.6726,2.1468,1.5156;-3.8581,2.0285,-.2898;-1.9919,3.1336,-.2956;2.356,.331,.58;2.1227,-.3413,-1.493;2.7453,-2.2941,.225;4.0734,-2.0419,-.3014;1.9537,-3.2723,-.5001;2.6438,-2.348,1.6709;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1912.802455668792</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1912.805789581435</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1912.805830034922</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1912.805836363380</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1912.805856406879</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1912.805857378736</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1912.805857863509</scalar>
               </module>
               <module cmlx:templateRef="loewdin">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="20">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="20">C C F F C C F C F F F F F F F F S O O O</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="20">-0.455423 -0.444490 0.215016 0.210735 -0.644295 -0.479542 0.216124 -0.563991 0.204409 0.206145 0.209642 0.215625 0.198913 0.212691 0.157352 0.164970 0.487544 -0.368231 -0.372584 -0.370610</array>
                  <array dataType="xsd:double" dictRef="x:spin" size="20">0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000</array>
               </module>
               <module cmlx:templateRef="mayer">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="20">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="20">C C F F C C F C F F F F F F F F S O O O</array>
                     <array dataType="xsd:double" dictRef="o:na" size="20">5.6832 5.7040 9.1675 9.1692 5.5429 5.6602 9.1708 5.7489 9.1813 9.1782 9.1771 9.1555 9.1672 9.1600 9.2012 9.1958 15.1647 8.5247 8.5256 8.5221</array>
                     <array dataType="xsd:double" dictRef="o:za" size="20">6.0000 6.0000 9.0000 9.0000 6.0000 6.0000 9.0000 6.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 16.0000 8.0000 8.0000 8.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="20">0.3168 0.2960 -0.1675 -0.1692 0.4571 0.3398 -0.1708 0.2511 -0.1813 -0.1782 -0.1771 -0.1555 -0.1672 -0.1600 -0.2012 -0.1958 0.8353 -0.5247 -0.5256 -0.5221</array>
                     <array dataType="xsd:double" dictRef="o:va" size="20">4.1714 4.1192 1.1495 1.1420 4.5244 4.0697 1.1488 4.0330 1.1294 1.1319 1.1395 1.1593 1.1440 1.1541 1.0882 1.0965 6.0722 1.9224 1.8951 1.8984</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="20">4.1714 4.1192 1.1495 1.1420 4.5244 4.0697 1.1488 4.0330 1.1294 1.1319 1.1395 1.1593 1.1440 1.1541 1.0882 1.0965 6.0722 1.9224 1.8951 1.8984</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="20">0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000</array>
                  </module>
                  <module cmlx:templateRef="bonds">
                     <array dataType="xsd:double" dictRef="x:distance" size="19">0.9187 1.0924 1.0908 0.9666 0.9104 1.0725 1.0784 1.1598 1.1343 1.1472 1.0792 0.9254 1.0494 1.0294 1.0416 0.7681 1.7632 1.7435 1.7624</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="19">0 1 0 2 0 3 0 4 1 5 1 9 1 10 4 11 4 12 4 13 5 6 5 7 5 8 7 14 7 15 7 16 16 17 16 18 16 19</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="mullikenpopulation">
                  <module cmlx:templateRef="atomicchargesspin">
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-1.0000000</scalar>
                     <scalar dataType="xsd:double" dictRef="x:spinsum">-0.0000000</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="20">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="20">C C F F C C F C F F F F F F F F S O O O</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="20">0.316840 0.296017 -0.167455 -0.169222 0.457138 0.339804 -0.170793 0.251131 -0.181255 -0.178238 -0.177119 -0.155474 -0.167179 -0.160023 -0.201186 -0.195818 0.835293 -0.524724 -0.525616 -0.522121</array>
                     <array dataType="xsd:double" dictRef="x:spin" size="20">-0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000</array>
                  </module>
               </module>
               <module cmlx:templateRef="irspectrum">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="54">6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59</array>
                  <array dataType="xsd:double" dictRef="cc:frequency" size="54">53.65 65.75 70.09 80.97 100.98 135.62 139.78 168.75 197.97 214.32 227.72 238.81 253.64 258.83 264.22 287.09 293.78 306.46 324.57 348.03 357.38 366.82 379.47 421.75 490.31 513.79 525.81 535.80 551.26 563.36 591.61 598.69 624.77 656.84 692.96 708.51 753.39 914.79 951.76 1075.52 1085.71 1103.02 1120.52 1138.69 1144.84 1159.69 1162.59 1169.93 1179.46 1201.36 1210.48 1227.38 1274.92 1330.01</array>
                  <array dataType="xsd:double" dictRef="o:t2" size="54">0.000842 0.000158 0.000778 0.000086 0.000451 0.000487 0.000289 0.000034 0.000039 0.000898 0.000141 0.000042 0.000209 0.000016 0.000146 0.000013 0.000494 0.000033 0.000027 0.000135 0.000072 0.000054 0.000040 0.000068 0.000244 0.004928 0.000328 0.001412 0.002464 0.000592 0.001439 0.001366 0.020238 0.001639 0.004779 0.001825 0.000366 0.000838 0.010300 0.000983 0.001003 0.000897 0.006647 0.000100 0.001559 0.004170 0.002385 0.027944 0.018498 0.034729 0.001756 0.003445 0.000837 0.003335</array>
                  <matrix cols="3"
                          dataType="xsd:double"
                          dictRef="cc:displacement"
                          rows="54">0.008292 -0.002869 -0.027660 0.002503 0.006237 0.010604 0.015924 0.020644 0.009901 0.006965 0.004574 -0.004117 -0.018335 -0.010065 0.003661 0.017812 -0.012801 -0.002431 -0.013945 0.009465 -0.002213 0.001270 -0.003253 0.004669 -0.006001 -0.000296 -0.001653 0.002517 0.002403 -0.029772 -0.005726 -0.006054 0.008486 -0.001201 0.006236 -0.001394 -0.013443 0.005216 -0.001104 -0.002828 -0.001109 0.002537 -0.010930 0.004556 -0.002374 -0.001292 -0.000097 0.003371 -0.021171 0.006555 -0.001812 -0.005373 -0.001441 0.001251 0.001150 0.004852 -0.001470 -0.003416 -0.000429 -0.011098 0.002728 -0.001696 -0.007839 -0.006808 0.002713 -0.000735 -0.005154 0.003631 -0.000361 0.001959 0.008000 -0.000187 0.001784 -0.001485 -0.015440 -0.068827 0.010598 0.008864 0.006508 -0.015826 0.005899 0.008660 0.024983 0.026702 -0.021819 0.041205 -0.017032 -0.011960 -0.004786 -0.020644 -0.026380 0.027131 0.002657 0.028867 -0.021151 0.009261 0.089190 -0.109942 0.013981 -0.015241 0.032990 -0.017832 -0.057176 0.038269 0.006714 0.041061 -0.011123 -0.003969 0.018519 -0.002425 0.004172 0.025589 0.008665 -0.010421 0.059663 -0.080796 0.014566 0.025958 0.008391 0.015464 -0.011533 -0.010681 -0.027487 -0.014661 -0.002315 0.026010 -0.005976 0.073660 0.034427 -0.003397 -0.008539 -0.003967 0.010398 0.023315 -0.030121 0.037706 0.042101 0.031244 0.017695 0.045506 0.001101 -0.137794 -0.093455 -0.014922 -0.000526 -0.039149 -0.130249 -0.029550 -0.056093 0.175241 0.026583 0.031744 0.006468 0.052496 -0.000359 0.026256 -0.023070 0.010328 0.014085 -0.043771 0.037159 0.006221</matrix>
               </module>
               <module cmlx:templateRef="orbitalenergies">
                  <list cmlx:templateRef="orbital">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="96">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="96">1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="96"
                            units="nonsi:electronvolt">-2418.8946 -671.2093 -671.1737 -671.1609 -670.7992 -670.7788 -670.3990 -670.3808 -669.6663 -669.5969 -668.9992 -668.9613 -515.6646 -515.6561 -515.6435 -282.4668 -280.6984 -280.2594 -279.5610 -278.5245 -215.8823 -160.5175 -160.4169 -160.4155 -34.5503 -33.2834 -32.7843 -32.1834 -32.0675 -32.0476 -31.6268 -31.2519 -31.1664 -30.4741 -29.6863 -25.8263 -22.3318 -22.3202 -20.2499 -19.0217 -17.6896 -16.5538 -15.4251 -15.0864 -15.0445 -14.9273 -14.1759 -14.1094 -13.6588 -13.4264 -12.8792 -12.8156 -12.4761 -11.8639 -11.6027 -11.5706 -11.4311 -11.0412 -10.8250 -10.5863 -10.5251 -10.3971 -10.3396 -10.0576 -9.9407 -9.8705 -9.7303 -9.5029 -9.4648 -9.2419 -8.8914 -8.7272 -8.6528 -8.4054 -8.1094 -8.0031 -7.9346 -7.8696 -6.7634 -5.0518 -5.0369 -4.2613 -4.2070 -3.9015 -2.9713 2.8226 3.0161 4.4089 4.7423 4.9983 5.7858 5.9876 6.2235 6.4793 6.5182 6.9630</array>
                     <scalar dataType="xsd:string" dictRef="o:spin">UP</scalar>
                  </list>
                  <list cmlx:templateRef="orbital">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="96">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="96">1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="96"
                            units="nonsi:electronvolt">-2418.8946 -671.2093 -671.1737 -671.1609 -670.7992 -670.7788 -670.3990 -670.3808 -669.6663 -669.5969 -668.9992 -668.9613 -515.6646 -515.6561 -515.6435 -282.4668 -280.6984 -280.2594 -279.5610 -278.5245 -215.8823 -160.5175 -160.4169 -160.4155 -34.5503 -33.2834 -32.7843 -32.1834 -32.0675 -32.0476 -31.6268 -31.2519 -31.1664 -30.4741 -29.6863 -25.8263 -22.3318 -22.3202 -20.2499 -19.0217 -17.6896 -16.5538 -15.4251 -15.0864 -15.0445 -14.9273 -14.1759 -14.1094 -13.6588 -13.4264 -12.8792 -12.8156 -12.4761 -11.8639 -11.6027 -11.5706 -11.4311 -11.0412 -10.8250 -10.5863 -10.5251 -10.3971 -10.3396 -10.0576 -9.9407 -9.8705 -9.7303 -9.5029 -9.4648 -9.2419 -8.8914 -8.7272 -8.6528 -8.4054 -8.1094 -8.0031 -7.9346 -7.8696 -6.7634 -5.0518 -5.0369 -4.2613 -4.2070 -3.9015 -2.9713 2.8226 3.0161 4.4089 4.7423 4.9983 5.7858 5.9876 6.2235 6.4793 6.5182 6.9630</array>
                     <scalar dataType="xsd:string" dictRef="o:spin">DOWN</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
                  <array dataType="xsd:double" dictRef="cc:frequency" size="60">0.00 0.00 0.00 0.00 0.00 0.00 53.65 65.75 70.09 80.97 100.98 135.62 139.78 168.75 197.97 214.32 227.72 238.81 253.64 258.83 264.22 287.09 293.78 306.46 324.57 348.03 357.38 366.82 379.47 421.75 490.31 513.79 525.81 535.80 551.26 563.36 591.61 598.69 624.77 656.84 692.96 708.51 753.39 914.79 951.76 1075.52 1085.71 1103.02 1120.52 1138.69 1144.84 1159.69 1162.59 1169.93 1179.46 1201.36 1210.48 1227.38 1274.92 1330.01</array>
                  <matrix cols="60"
                          dataType="xsd:double"
                          dictRef="cc:displacement"
                          rows="60">0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -0.006245 0.014400 -0.081906 0.025055 0.034493 -0.209753 0.061810 -0.086119 -0.185196 -0.108148 0.186635 -0.081166 0.008352 -0.071033 0.177722 0.008309 0.036025 -0.139598 -0.069007 0.063759 -0.146757 0.020441 -0.003617 -0.036297 0.053357 0.036805 -0.167428 0.126983 0.140628 -0.273129 -0.042245 -0.051252 -0.326850 0.077633 -0.303191 0.194265 -0.017837 0.010751 0.243664 -0.015221 0.007706 0.332552 -0.003097 0.051147 -0.093448 0.112737 -0.118042 -0.045651 -0.045237 0.011997 0.158688 -0.014778 -0.053787 0.202435 -0.039780 -0.015714 0.191638 -0.106904 0.110392 0.157602 0.061120 0.036143 -0.090336 0.042866 0.084694 0.033613 0.056748 -0.060123 -0.250583 0.193310 0.161699 -0.123145 -0.049713 -0.060126 -0.011102 0.013705 0.057458 0.193993 0.140028 0.269255 0.348715 -0.016761 -0.024332 -0.015750 -0.135787 -0.110237 0.380115 -0.031628 0.179894 0.004132 0.100413 0.025261 0.021413 -0.246130 -0.272828 -0.011883 0.023448 -0.022451 -0.195911 -0.015455 0.028659 0.249076 0.118060 0.000192 -0.128784 -0.178493 -0.105903 -0.070969 -0.014251 -0.035547 -0.064642 -0.031184 -0.031168 -0.101030 -0.035706 -0.024514 -0.052365 0.027887 -0.054459 -0.063786 0.038362 0.005430 -0.004097 0.059468 0.129238 -0.067424 0.147241 -0.027920 0.042828 0.000166 -0.044598 0.005622 -0.079587 -0.064712 -0.016302 0.076765 0.133143 0.046004 0.033237 0.209868 0.079272 0.072918 0.043895 0.122188 0.105813 0.090952 0.057730 0.099007 0.271191 -0.137774 -0.009496 0.058363 -0.171130 0.078268 0.041492 -0.012309 -0.142065 -0.288518 0.145061 -0.290382 -0.019277 -0.196412 0.106584 -0.117812 0.307814 0.180058 0.222292 0.189880 -0.086377 -0.119232 -0.070820 -0.079923 -0.175947 -0.077438 -0.169864 -0.000414 -0.138165 -0.069437 -0.240408 -0.071618 0.082068 0.077398 -0.040403 0.056644 0.041188 0.108342 0.047017 -0.013416 -0.218766 0.224499 0.238313 -0.081379 -0.044762 -0.024931 0.006185 0.004440 0.014554 -0.023240 0.013954 -0.044176 -0.055016 -0.002604 -0.036816 -0.093991 -0.052671 0.093044 -0.043230 -0.018195 -0.139235 0.196696 0.153547 0.161143 0.273436 0.205505 0.103135 0.013867 -0.144357 -0.314637 0.259237 -0.334772 0.037865 -0.239693 0.068297 0.045058 -0.243615 -0.065588 -0.199580 -0.148880 -0.034432 -0.005095 0.062078 -0.021605 -0.061458 0.070147 -0.040970 -0.037247 0.116537 -0.055799 0.093893 0.062488 -0.058212 0.032643 -0.131272 -0.065547 -0.097944 -0.066335 -0.181700 0.002645 -0.299365 -0.022350 0.226766 -0.157144 0.067301 0.051033 0.015610 -0.096758 -0.123204 0.091263 -0.095895 -0.012052 0.155420 -0.088637 -0.048111 0.113440 -0.090705 -0.238577 0.163492 -0.065925 -0.023638 -0.100281 0.004970 -0.192719 -0.104593 0.343097 0.080639 0.030641 -0.037314 0.085761 0.280232 0.015124 0.018069 -0.139323 -0.189127 -0.072943 0.211245 -0.110828 0.078926 0.140717 0.119073 0.031307 -0.033673 0.079235 0.211647 -0.057577 0.211110 -0.019461 -0.073660 0.163990 -0.059642 -0.033308 0.036479 -0.122575 -0.065635 -0.002743 -0.066226 0.021295 0.017179 -0.154826 -0.138880 0.092609 -0.076341 -0.078673 0.128206 -0.114145 -0.021734 0.024022 -0.002466 0.018792 0.069180 -0.015723 0.025346 -0.004550 0.136916 0.025788 0.065036 -0.030734 0.018408 -0.076072 -0.110049 0.051870 0.019384 -0.015564 0.079407 0.209848 -0.138631 -0.015574 0.109069 0.009327 0.039141 0.222652 -0.170794 -0.035734 -0.059569 0.114772 0.089067 0.003151 0.235843 0.053789 -0.163269 0.116369 -0.017615 -0.240815 -0.151810 -0.284928 -0.448857 0.182186 0.239839 0.082129 0.281768 -0.008170 -0.054296 0.093383 -0.016565 -0.032241 0.025784 -0.007064 -0.086333 0.086893 -0.056185 -0.045188 0.146764 -0.023469 -0.118355 0.079681 -0.000159 0.000045 -0.001453 -0.039328 -0.054756 -0.058539 -0.084827 0.032954 -0.058844 0.044910 0.042625 0.059975 -0.102403 -0.046237 0.001333 0.006283 -0.018631 0.041521 0.014204 -0.218209 0.032719 -0.003813 -0.091175 0.040939 -0.080409 -0.156024 0.134255 0.084304 0.013628 -0.105123 0.114172 0.097812 -0.008332 0.072111 0.144591 -0.109235 0.018865 -0.012764 -0.209561 -0.374172 -0.034535 -0.206248 0.387766 0.554530 0.088474 0.033554 0.195296 0.061457 0.059035 0.154035 0.034184 0.010894 0.276819 0.053942 0.130851 0.235809 -0.012252 0.060882 0.055299 -0.032770 -0.006299 -0.143135 -0.086702 0.000519 -0.303050 -0.135849 -0.077224 -0.175870 -0.086605 0.050739 -0.190614 0.058610 -0.067764 0.307224 0.099489 -0.046749 0.230389 -0.118483 -0.075708 -0.053830 -0.057586 -0.011839 0.103221 -0.234174 -0.121730 -0.059662 0.056441 0.055679 -0.288145 -0.085216 0.124691 -0.216110 -0.008656 0.062811 -0.036571 0.091282 -0.020461 -0.102557 0.231145 -0.115704 0.009347 0.004180 0.047314 0.052281 0.120329 -0.017113 -0.017093 -0.100497 -0.056769 -0.031937 0.181096 0.012441 0.112317 -0.146729 -0.016083 -0.047090 -0.187749 -0.041802 0.070949 -0.114413 -0.038796 -0.071856 0.184137 0.007173 -0.261722 0.210693 -0.031020 -0.085965 -0.062087 0.035883 -0.132998 0.335810 -0.068542 -0.198530 0.185768 0.039463 -0.084239 0.323644 0.112791 0.204170 -0.152544 -0.029402 0.038370 0.087430 0.065708 0.227838 -0.218521 -0.085752 0.004294 -0.081148 0.006162 -0.142984 -0.112602 0.007711 0.059506 -0.079371 0.019644 0.000185 0.112385 -0.046112 0.173310 -0.203259 0.063210 0.142456 -0.106121 0.022024 0.051074 0.067742 -0.113928 0.019718 0.034365 -0.155192 0.177578 0.143569 0.134741 -0.105413 -0.143447 -0.067456 0.033929 0.050528 -0.046822 -0.013384 -0.022852 -0.173293 0.141678 0.225530 0.007281 -0.050040 -0.038808 -0.159862 -0.125090 -0.284911 0.054109 -0.078204 -0.258850 -0.011635 0.077538 0.277123 0.090418 0.118571 -0.161728 -0.031565 0.010411 0.018450 0.011911 -0.111215 0.190335 0.092845 -0.180259 -0.188596 0.108236 0.077722 0.242776 -0.070492 -0.017867 -0.040030 -0.016163 0.014632 -0.036967 0.056914 0.151812 -0.264942 0.104647 -0.165585 0.242280 -0.019951 -0.035096 -0.053356 0.124876 -0.005703 -0.008583 0.083462 -0.081157 -0.175796 -0.131171 0.075792 0.198436 0.076949 -0.030493 -0.048818 0.070456 0.012564 0.021063 0.020950 0.063548 -0.057586 -0.015505 -0.004489 -0.022081 -0.112000 -0.041389 0.089472 -0.008925 0.164869 0.085334 0.014977 -0.146894 -0.059919 -0.045033 -0.151209 0.196754 0.050161 0.005727 -0.019731 -0.021678 0.139430 -0.204737 -0.073290 0.219028 -0.295618 0.074568 -0.143930 0.309329 -0.068059 -0.025139 -0.019185 -0.045257 0.022541 -0.028031 0.057153 0.199395 -0.314572 0.113948 -0.247377 0.386663 -0.046795 -0.017967 0.015593 -0.068572 -0.018261 -0.036039 0.037884 -0.297288 0.236993 0.048276 0.162800 -0.273853 -0.063436 0.018792 0.047421 -0.091866 0.024733 0.009398 0.112101 -0.258555 -0.038413 0.005715 0.040642 0.003094 0.091291 0.313398 -0.006507 -0.029703 0.072241 -0.009966 0.007740 -0.060913 -0.044805 -0.003504 0.194601 -0.272146 -0.057879 -0.025416 0.051495 0.021748 -0.166478 0.217673 0.085433 0.443141 -0.132527 -0.020319 -0.268063 0.037002 0.023132 -0.033556 0.036730 -0.023653 -0.046021 0.089186 -0.032773 0.022062 -0.033981 0.019688 -0.074775 0.120679 -0.020632 -0.006330 0.024336 -0.048930 0.018166 -0.014544 -0.113707 0.319320 -0.117387 0.012157 -0.338847 0.132695 -0.009318 -0.049490 0.015059 0.043668 0.033431 -0.012184 0.019224 -0.081999 0.050242 0.018007 0.020218 -0.064207 0.079278 0.265576 -0.138287 -0.027213 -0.190894 -0.117406 -0.021184 0.285907 -0.039945 0.051053 -0.133088 0.147381 0.024406 -0.046052 0.055290 0.023994 0.032616 -0.051979 -0.029434 0.307188 -0.197612 0.041474 0.005155 -0.198432 0.046711 -0.116368 0.090102 -0.013785 -0.219987 0.402712 -0.131806 -0.025603 -0.015172 0.029947 -0.037758 0.035162 -0.010298 0.005556 -0.027606 0.112688 0.004689 0.004662 -0.054296 -0.105754 -0.062254 -0.069131 0.171668 0.081607 0.064740 0.015703 -0.018999 0.043416 -0.000615 0.017840 -0.124757 -0.191226 0.320766 0.013469 -0.020282 -0.010433 0.040323 0.180155 -0.280575 -0.007788 0.388487 -0.298720 0.015495 -0.385250 0.323169 -0.027277 -0.075236 0.136915 0.033955 0.060070 -0.088912 -0.062137 0.071049 -0.077625 -0.004632 -0.048650 0.037191 -0.016233 0.049429 -0.104845 0.025451 -0.036367 0.004295 0.024838 -0.108317 0.186356 -0.067378 -0.035558 0.009782 0.018394 0.076708 -0.163046 0.026646 -0.034391 -0.018526 0.009786 -0.014509 -0.008957 0.087050 -0.243488 0.075248 -0.016727 0.144909 -0.091700 -0.007657 -0.005716 -0.001347 -0.040033 0.029200 0.044346 -0.047080 0.367572 -0.059698 -0.004453 0.005105 -0.082349 -0.063227 -0.246462 0.172859 0.014648 0.069377 0.062325 0.028179 -0.086917 -0.055081 -0.015471 0.067449 -0.107226 -0.026595 -0.023504 0.042925 0.005065 -0.030230 0.022278 -0.003443 0.001776 -0.197463 0.084027 0.423267 -0.234048 0.012372 -0.125995 0.064357 0.005378 -0.248388 0.466869 -0.121343 0.007659 -0.094403 0.061763 -0.018474 -0.012397 0.005913 0.044291 0.023527 -0.011449 -0.037636 0.002068 0.002146 0.119274 -0.010066 0.001862 0.077159 0.019403 -0.013782 0.039418 0.039031 -0.000455 0.054623 0.020397 0.008401 0.306510 -0.181425 -0.037571 -0.091791 0.152854 -0.018396 0.237959 -0.025602 -0.063276 -0.087241 0.081119 -0.021502 -0.082131 -0.021755 -0.051783 0.042423 0.040150 -0.000257 0.050503 -0.017217 -0.018751 -0.019612 0.090595 0.033776 -0.102646 0.244053 -0.111494 -0.287754 0.255892 -0.038782 -0.091481 -0.134893 0.082172 -0.217720 0.265501 -0.037808 0.077508 -0.345560 0.184681 0.014704 -0.392429 0.085130 -0.066117 0.011649 -0.013521 0.060386 0.056873 0.041818 0.197065 -0.152124 -0.042327 0.096563 -0.128947 -0.029833 -0.261711 0.023249 -0.085771 -0.018723 -0.027441 -0.009153 0.062724 -0.085151 -0.016973 -0.017717 0.019113 -0.000247 -0.033833 -0.042590 0.016852 0.397062 -0.058436 0.028340 0.107647 0.031531 0.049665 -0.103956 -0.149704 -0.065338 -0.381510 0.589099 0.155565 -0.096871 -0.101702 -0.165718 -0.013103 0.014767 -0.000982 -0.071556 0.065341 -0.002191 0.006578 -0.001455 0.028844 0.010760 -0.004448 0.036239 -0.033667 0.044359 0.012077 0.047594 -0.078365 0.030702 0.016968 -0.021570 0.055060 -0.017814 0.039660 0.063354 -0.017080 -0.040592 -0.003509 0.346206 -0.151600 0.024948 -0.061405 0.024515 0.067821 0.025688 -0.010831 0.028009 -0.159382 0.053482 0.017654 -0.007297 -0.001432 0.013735 0.336240 -0.164773 -0.022614 -0.204740 0.256513 0.007759 0.073692 -0.058134 0.039666 -0.090849 0.118106 0.072648 -0.094847 0.134433 0.145432 0.009598 -0.030116 0.038316 -0.288836 0.180502 -0.031136 0.242216 -0.194273 0.025085 -0.030789 -0.033637 -0.112129 -0.041153 -0.078924 -0.150140 0.165593 -0.245513 -0.050082 -0.210564 0.246103 -0.119392 -0.068932 0.028547 0.018792 0.076265 -0.033889 0.006728 -0.311787 0.177779 0.062704 -0.189132 0.075264 0.031829 -0.032368 -0.093584 -0.007649 -0.027372 0.105642 -0.007877 -0.154127 0.283479 0.058761 0.009207 0.138904 -0.026414 -0.019166 0.116902 -0.022186 0.199925 -0.155857 0.039977 0.427900 -0.230166 0.070653 -0.058000 -0.150950 -0.010626 -0.043800 -0.089753 0.005192 0.091129 -0.212043 -0.089800 -0.018704 0.258971 -0.138213 0.140863 0.188930 0.009136 -0.018912 -0.069067 -0.004754 -0.069337 0.050641 -0.065711 0.110075 -0.233876 0.073111 -0.047713 -0.099458 -0.006241 0.036817 -0.065064 -0.021970 -0.020395 -0.047266 -0.100390 -0.020674 -0.060395 -0.064421 0.358131 -0.315342 -0.042378 -0.027749 0.038707 0.108047 -0.068644 0.027075 -0.142953 -0.120675 0.205033 -0.072941 0.012247 0.022530 -0.139068 -0.235594 -0.029746 -0.046084 -0.230750 -0.103214 -0.055974 0.157453 -0.160019 -0.090115 -0.153940 0.311808 0.108788 -0.046019 -0.000019 0.165807 0.027950 0.028790 0.160420 0.180042 -0.118412 -0.088584 0.047369 0.250474 -0.100087 0.014778 0.005838 0.061680 0.018570 0.097885 0.103633 -0.104309 0.098451 0.076949 0.150558 -0.200641 0.067393 -0.028601 0.058135 0.008685 0.059992 0.101632 -0.069989 -0.291654 0.262499 0.108566 0.057191 0.049957 -0.005775 -0.032185 -0.085767 0.040044 0.066938 -0.055613 -0.129379 0.198687 -0.028353 -0.099862 -0.042676 -0.092526 -0.093677 0.175185 -0.221841 -0.087242 -0.036801 0.280534 -0.132337 0.225814 0.233439 0.124820 -0.137590 -0.066015 0.038624 -0.069785 -0.091394 0.117540 0.173065 -0.274939 -0.070445 -0.125662 -0.241597 0.101119 -0.214818 -0.026711 -0.135273 0.008725 0.032307 0.037256 0.042762 0.029765 0.108615 -0.132092 0.176076 0.007629 0.109286 -0.067177 0.040331 0.022707 0.104226 0.048953 -0.098656 0.045003 0.010233 0.154924 0.168477 0.255245 0.172842 0.298779 0.008771 -0.011889 -0.054995 -0.034948 -0.106896 -0.076799 -0.008804 -0.258525 -0.229555 -0.130965 0.065272 0.057069 -0.035769 -0.196140 -0.302911 0.166338 -0.176666 0.128722 -0.001697 -0.165650 0.051438 -0.019819 0.016351 -0.227866 -0.035295 -0.035955 0.023013 0.006730 0.071396 -0.161633 -0.150944 0.254426 0.069718 -0.171702 0.280316 0.179439 0.033169 -0.007442 -0.005822 0.009821 -0.030390 0.062236 -0.013658 -0.007452 -0.028509 0.044263 0.010636 -0.075166 0.012681 0.046392 0.071326 0.046192 -0.076641 -0.077728 -0.027765 0.149522 0.161660 0.278780 0.288030 0.268760 -0.001337 -0.032778 -0.030944 -0.023798 0.015365 0.088749 -0.025971 0.144611 0.284947 0.107791 -0.054738 -0.020647 0.003158 0.128281 0.219595 -0.172939 -0.229591 -0.306219 0.086533 -0.160723 -0.272344 -0.236893 -0.038856 -0.180777 -0.024933 -0.074935 0.089804 0.049026 0.017775 -0.115008 -0.136339 -0.083753 -0.098234 0.113480 -0.155706 -0.113597 -0.037402 0.011333 0.007163 -0.001998 0.040378 -0.051812 0.035401 -0.001809 0.042973 -0.038520 0.033818 0.044322 -0.002316 0.039528 0.080330 -0.201077 0.027293 0.040420 -0.184814 0.037109 0.265766 0.005487 0.052732 -0.134320 -0.231607 -0.019175 -0.012060 0.011884 0.007471 0.017757 0.070738 0.117229 -0.212537 -0.026394 0.027095 0.065138 0.236475 -0.153998 0.110310 0.108964 0.033116 -0.239909 -0.111715 -0.017361 0.205951 -0.143481 -0.217498 0.129286 0.002709 -0.110690 -0.138299 0.232025 0.217878 -0.128732 0.088285 0.134638 0.222262 0.079005 -0.109149 -0.136168 0.223870 -0.004758 -0.004715 -0.001250 -0.054256 -0.092113 -0.140134 0.137787 -0.073339 -0.075135 -0.116725 0.098033 -0.001807 0.033502 0.110227 -0.178959 -0.007884 0.010501 0.158488 0.174322 0.201937 -0.083138 -0.150394 -0.087264 -0.212223 0.005690 0.044166 -0.105893 0.007900 -0.033171 0.181031 -0.135578 -0.082878 0.198883 -0.013070 -0.091189 -0.166427 0.201875 0.121530 0.065454 0.115874 0.031126 0.193817 -0.199783 -0.093629 0.006661 -0.121638 0.031044 -0.148788 -0.130011 -0.160009 0.205329 0.233089 0.028241 0.088730 -0.173928 -0.159313 -0.134181 0.172463 0.106301 -0.155706 0.001332 -0.022420 -0.081884 0.107517 0.133035 0.195806 -0.191644 -0.016798 0.121007 0.078115 -0.027036 -0.098318 -0.098876 0.047238 -0.030215 -0.133016 0.039209 0.064709 0.055015 -0.001253 0.037612 0.007384 0.014440 -0.066725 -0.094913 -0.013927 -0.065906 -0.139621 0.066721 -0.060674 0.070664 0.045065 -0.013929 -0.162984 0.059203 0.015681 0.025028 -0.088755 -0.090912 0.075852 0.065372 0.043400 -0.002785 -0.094481 0.089906 0.155390 0.085470 -0.090495 -0.149600 -0.089346 -0.077188 0.089910 -0.039093 0.183796 0.055873 -0.013057 -0.079787 0.030886 0.033581 0.082275 -0.206913 -0.068922 0.089078 -0.221238 -0.110476 0.186226 0.162134 -0.052853 -0.471134 0.455103 0.249899 0.142449 0.161694 0.022050 0.050603 0.107293 -0.005896 -0.043240 -0.033033 0.042097 -0.178881 -0.052594 -0.111182 0.142856 0.210388 0.081817 0.120801 0.047661 -0.009206 0.041421 -0.023720 -0.055140 0.026530 -0.023294 -0.056343 0.009721 0.023783 0.045481 0.058149 -0.067284 -0.053933 0.007156 -0.005845 0.073429 -0.104994 -0.341454 -0.209711 0.171906 0.334820 0.082193 0.202706 -0.082397 0.120819 -0.395260 -0.029987 -0.001358 -0.103074 0.024578 0.063791 0.060169 -0.120055 -0.083971 0.006243 -0.097871 0.038354 0.190297 -0.014935 -0.063612 -0.228127 0.275790 0.173357 0.024577 0.046404 0.083349 -0.006383 -0.036718 0.006129 0.154134 0.087414 0.058811 -0.136468 -0.094341 -0.075942 0.025430 0.083389 0.087743 -0.054410 -0.036307 0.005168 -0.102241 0.013203 0.114431 -0.075620 -0.007617 0.023790 -0.081198 -0.024733 -0.116423 -0.083851 0.040616 0.129304 0.194279 -0.111330 -0.164749 0.061747 -0.159698 -0.103821 -0.085720 0.037664 -0.085696 0.186357 0.132623 0.132597 -0.101907 0.019148 -0.092138 0.038185 -0.015095 0.026955 -0.113264 0.060104 0.104167 0.214984 -0.178068 -0.209405 -0.422990 0.311884 0.190472 -0.097286 -0.202657 -0.134801 0.264974 -0.005726 0.122502 0.055996 -0.032661 0.172276 0.108183 0.029947 0.034084 -0.157352 -0.060297 -0.079886 0.120929 -0.019466 0.042430 -0.022481 0.001865 0.244799 -0.122513 0.011643 0.053764 -0.391254 0.016999 0.273271 0.003826 -0.047829 -0.173468 0.194053 -0.004019 0.009860 0.295320 0.016603 -0.138341 -0.152018 0.015637 -0.050787 -0.031633 -0.029892 -0.067083 0.008018 0.082550 0.024704 -0.014905 0.086696 0.149714 0.357106 -0.090442 -0.200719 -0.172497 -0.051457 0.005660 -0.113117 0.093713 0.012162 0.197517 -0.075753 -0.133567 0.090577 0.101841 -0.011732 -0.144918 -0.021046 -0.018032 0.005770 -0.145342 -0.143652 0.051467 0.052229 -0.065123 0.025238 0.009565 0.020258 -0.009703 0.095889 0.088537 -0.075340 -0.158298 -0.112810 -0.149182 0.146994 0.181546 0.047792 -0.063567 0.015488 0.171049 -0.159736 -0.146755 -0.376378 0.073589 0.156230 -0.117445 -0.086668 -0.112610 0.305119 -0.145211 -0.084542 -0.133930 0.039443 -0.078756 0.191697 0.124374 0.190100 -0.070763 0.155022 0.138064 -0.015683 -0.062699 -0.074043 0.294152 0.024463 -0.009906 -0.131455 0.157865 0.062061 0.133938 -0.139806 -0.086362 0.134579 -0.022032 0.024447 -0.174279 0.007360 0.238709 -0.083048 -0.090370 0.118442 0.083285 0.148732 0.308765 -0.217516 -0.064180 -0.190633 -0.090568 -0.095458 -0.050136 0.211318 -0.169734 -0.038127 -0.044906 0.098962 0.037938 0.067510 -0.123302 -0.041923 0.059112 -0.016327 -0.102775 -0.205646 0.034893 0.065483 0.203864 -0.067672 -0.079357 -0.029117 0.106158 0.049705 0.405334 0.105086 0.064955 -0.254814 -0.160613 -0.301660 -0.056152 0.043877 -0.035848 -0.119140 0.010701 0.004551 0.193728 0.032452 0.043116 -0.032913 0.075133 -0.026530 -0.012902 -0.012644 0.017864 0.076448 -0.058079 -0.035715 -0.045342 0.053453 0.111246 0.178646 0.156152 0.182053 -0.001403 -0.064973 -0.034163 -0.165129 -0.014981 -0.016055 0.376530 -0.074681 0.045813 -0.112600 0.041580 -0.056654 -0.043934 0.081225 0.016115 -0.034944 -0.021545 -0.256393 0.108672 -0.010608 -0.058484 -0.059414 -0.132305 -0.032631 0.222424 0.098031 0.098006 -0.317295 0.093297 -0.050519 -0.208389 -0.229659 -0.075500 -0.003507 0.152439 0.054031 0.078295 -0.040947 -0.056948 -0.266188 -0.041679 0.086686 0.328444 0.089296 -0.104925 0.013013 0.046361 0.106931 -0.063154 -0.114562 0.073504 -0.018929 -0.096259 0.092736 0.017264 0.051130 -0.133776 -0.123529 0.124826 -0.086810 0.096121 0.004822 0.038352 0.109704 -0.056571 0.034973 -0.277288 0.044183 -0.091179 0.015419 0.232529 0.006017 -0.092437 -0.008078 0.137398 -0.232184 0.203380 -0.138208 0.047174 -0.068529 -0.047546 0.064656 0.039820 0.105567 0.145972 -0.095536 -0.127952 0.078495 -0.029792 0.075634 0.035678 0.072281 0.077137 0.013371 -0.115961 -0.067935 0.036991 -0.028746 0.100835 0.037118 -0.096849 0.028901 0.010444 0.164116 -0.373694 0.091739 -0.003381 0.301186 -0.113774 -0.255478 0.086753 -0.187685 -0.107571 0.272211 0.133347 -0.009922 -0.226990 -0.115637 0.142601 0.074436 0.070726 -0.111302 -0.132648 0.228093 -0.037043 0.086155 -0.320828 0.089495 -0.100354 -0.024247 0.107237 0.097466 -0.047060 0.060306 0.089958 -0.281469 -0.091884 -0.151720 0.067519 0.041587 -0.029660 0.149918 0.033530 0.060508 0.266618 0.024035 -0.025208 -0.117879 -0.073978 0.064294 -0.062681 0.149467 0.065553 0.099518 -0.110046 0.017751 0.033572 -0.081069 -0.140489 -0.248718 -0.042037 0.026327 0.324899 -0.097013 0.229379 -0.065939 0.000677 -0.163616 0.071946 0.136904 -0.023967 0.119606 0.052525 -0.139481 -0.107216 -0.222458 0.112048 0.016652 -0.338040 0.063134 -0.061144 0.046638 -0.076947 0.016675 0.074405 -0.033284 -0.012137 -0.065185 0.163223 0.062400 -0.160653 0.345522 0.021023 0.072527 -0.002202 -0.249091 -0.268500 0.028009 0.017248 0.163765 0.093024 0.308992 0.066143 -0.101162 -0.217236 0.033749 -0.100171 0.157380 0.004888 -0.083632 0.174751 -0.011963 -0.109927 -0.058514 0.142858 0.129435 -0.127543 -0.074539 -0.162975 -0.169804 0.031232 -0.000560 0.141643 0.099567 -0.079669 0.017220 0.112354 0.042383 -0.082915 -0.083386 0.076292 0.001024 -0.089331 0.038949 0.046629 0.230759 0.036974 0.052540 0.143487 -0.296863 -0.002535 0.119512 0.253997 -0.209193 -0.037440 -0.025126 0.240314 -0.001538 -0.055504 -0.025289 0.308848 -0.043818 -0.043603 -0.018185 0.136704 -0.252039 0.180980 -0.156006 0.035980 -0.008169 0.102827 0.205531 -0.059326 -0.002735 -0.280024 -0.183193 -0.148396 0.289438 0.040235 0.029867 -0.075185 -0.126162 0.057440 -0.033169 -0.050381 -0.131730 0.080390 -0.078141 -0.026446 -0.082738 -0.070390 0.021940 0.119515 -0.076332 0.101479 -0.025098 -0.067677 -0.057616 0.059080 0.078662 -0.027161 0.034513 0.054487 -0.050426 -0.059503 -0.057865 -0.033279 -0.024358 0.175597 -0.086230 0.015348 -0.020046 -0.099904 0.081332 0.006142 -0.009435 -0.164608 -0.143886 0.264602 0.100214 0.262058 -0.192710 -0.023771 -0.041647 0.052300 -0.004708 0.289694 -0.161559 0.016729 -0.071641 0.009291 -0.033519 -0.020151 0.043460 0.066529 -0.024909 0.010994 -0.019777 0.049449 -0.105169 0.419640 -0.320477 -0.136718 -0.208892 0.287036 0.249440 -0.203593 -0.026269 0.058186 0.019874 -0.056911 0.025910 -0.001225 -0.060634 0.055181 -0.010910 -0.090709 -0.021708 0.052398 0.055788 -0.026081 0.011093 0.046143 -0.022543 -0.046691 0.391824 -0.264689 -0.039612 0.331390 -0.177189 0.046843 -0.046124 0.044688 0.002377 -0.059183 0.035695 -0.003736 0.102708 -0.060850 -0.007361 -0.091930 0.030570 0.012411 0.003328 -0.001630 -0.007460 -0.436286 0.328614 -0.074133 0.017514 -0.014611 0.001754 -0.040011 0.026191 -0.002254 -0.051386 0.028693 -0.004229 -0.005633 0.011741 0.110818 -0.215146 0.028132 -0.069740 0.039880 0.067686 -0.026655 0.051738 -0.051190 -0.004429 0.049079 -0.046307 0.037646 -0.013156 0.051471 -0.013419 0.266600 0.019746 -0.110952 -0.143501 -0.158259 -0.105282 -0.016313 -0.010150 0.249079 0.264538 -0.178228 -0.033224 0.160604 -0.052348 0.020167 -0.032420 0.025809 0.002457 -0.035042 0.023536 0.005843 0.092079 -0.065525 -0.010482 -0.148542 0.155240 0.008929 0.020239 -0.025263 0.004970 -0.343875 0.015981 0.021865 0.023853 -0.027698 -0.007976 -0.015580 0.001703 -0.014164 -0.027912 -0.000418 0.010010 -0.007915 0.011370 0.066918 -0.131485 0.021061 -0.040136 0.019896 0.045381 -0.015235 0.057777 0.022028 0.022542 0.053424 0.001235 -0.042702 0.113088 -0.188796 0.041902 -0.378340 -0.041755 0.158526 0.236135 0.358781 0.206175 -0.013777 0.037798 -0.445241 0.117086 -0.315319 -0.167411 -0.201755 0.164093 -0.156491 0.007443 0.085372 -0.020304 0.006598 0.040549 0.117997 0.172754 -0.209433 -0.013200 -0.044328 0.347640 0.116913 0.011893 -0.059858 0.038269 0.394918 0.116664 0.460333 -0.069370 -0.102290 -0.116401 0.042916 -0.005082 0.046243 0.005100 -0.046958 0.038725 -0.022148 0.028333 0.070851 -0.113919 0.027029 -0.031973 0.017540 0.089454 -0.022586 -0.125805 -0.149019 -0.127651 -0.009227 0.023853 -0.121701 -0.043749 -0.006208 -0.048822 0.030237 0.007966 -0.009525 0.023128 0.005580 0.018107 0.000625 0.002563 0.061590 0.156077 -0.122598 -0.087582 0.009496 0.332726 0.120269 -0.028506 0.011979 0.008033 -0.018533 0.019182 0.033215 0.045323 -0.165314 -0.054240 -0.217812 0.272279 0.130629 0.021709 -0.034095 -0.000613 0.071389 -0.590518 -0.397709 0.032722 -0.062499 -0.043740 -0.007556 -0.081963 -0.114895 -0.035057 -0.074996 0.049919 -0.011585 0.021729 0.060522 -0.045479 0.018564 -0.009133 0.019970 0.064087 -0.014393 0.068377 0.210608 0.141101 -0.018381 0.031740 0.057519 -0.025789 0.067100 0.021196 0.061341 -0.000877 -0.027491 -0.043035 -0.056252 -0.039246 0.011472 -0.019704 0.042010 0.101498 0.166845 0.011956 0.181512 0.080915 -0.209973 -0.055613 -0.080552 0.035311 -0.006346 -0.016915 -0.032811 -0.035399 0.044558 0.067627 -0.292984 -0.213531 0.020057 0.085808 0.068436 -0.109039 -0.209261 -0.380655 0.573091 0.059929 0.067544 0.072078 -0.014158 0.014334 0.036731 -0.066220 -0.057168 0.071779 0.007693 -0.007602 -0.038344 0.006735 -0.001525 -0.002480 -0.002828 -0.023673 0.000686 0.057457 0.092783 0.015576 0.090074 0.105983 -0.312418 0.031000 0.063134 -0.057960 -0.013950 -0.017927 0.013722 -0.044011 -0.069104 -0.029361 -0.005993 -0.004802 0.096593 0.149684 0.270205 0.228703 0.423138 0.285555 0.248533 -0.065180 -0.102554 0.032079 -0.046966 -0.035224 -0.157498 -0.353020 0.056840 -0.101335 0.101888 0.295587 0.007122 -0.025480 -0.069447 0.074584 0.078109 0.162622 0.155090 -0.065411 -0.110863 -0.107571 -0.087283 -0.111095 -0.211266 -0.095575 -0.102041 0.069088 0.029807 -0.012311 -0.009085 0.139676 -0.011686 0.047579 0.024159 -0.019315 0.008916 -0.051084 -0.085256 -0.061437 -0.006490 -0.008502 -0.017187 -0.066117 -0.050729 -0.039197 0.064663 0.012077 -0.022608 0.063059 0.074616 0.052148 0.001284 0.004635 0.039017 -0.004282 0.123916 -0.387192 -0.075546 -0.135283 0.362281 -0.016122 -0.059310 0.048911 0.013096 0.015181 0.139129 -0.088924 0.010425 -0.177012 0.050551 -0.128817 0.609122 0.044089 0.135637 -0.216517 -0.064043 0.037854 0.012500 -0.052278 -0.065706 -0.122714 0.004155 -0.037711 -0.092821 0.043634 0.100457 -0.100411 -0.007437 0.015349 0.084783 0.058037 -0.006864 0.027385 0.001906 -0.024412 0.013550 -0.009926 -0.012653 -0.007116 0.031935 0.003280 -0.036765 0.047748 -0.022107 -0.144482 -0.120949 -0.013079 0.062215 0.034198 0.053461 0.040379 -0.004026 -0.002191 0.183656 -0.021355 0.184887 -0.171692 0.173715 0.084369 -0.613911 -0.049184 -0.077366 0.042303 0.035177 -0.018856 0.058367 -0.027482 0.024115 0.341121 0.180956 0.083974 0.383810 -0.011128 -0.012010 -0.032181 -0.085426 0.071061 -0.240221 -0.058046 -0.052917 -0.099851 0.025460 0.040176 0.147065 -0.103908 -0.109734 0.151477 0.013281 -0.013028 -0.133833 -0.004639 -0.003497 -0.026229 0.005003 -0.003598 -0.024791 -0.000857 0.002671 0.021443 0.003653 -0.028495 0.074660 -0.047839 -0.046117 -0.020350 0.042887 0.009379 -0.015397 0.053526 0.074670 0.041904 0.006385 0.000243 0.028286 0.149506 0.178173 0.123216 -0.069755 -0.143718 0.157349 -0.041435 -0.107178 0.031012 -0.029143 -0.034034 -0.119238 0.544205 0.469318 0.192513 -0.172649 0.133848 0.050795 0.016849 0.003232 -0.018165 0.169290 -0.071197 -0.019258 0.007508 -0.020776 -0.014054 -0.005421 -0.004445 -0.033995 0.033939 0.054623 -0.055951 -0.026566 -0.043919 -0.094448 -0.187460 -0.016628 -0.064744 -0.113950 -0.206520 0.045303 -0.018171 0.008750 0.001124 -0.014036 0.003658 0.007260 -0.133280 -0.076518 -0.071124 0.122185 0.025583 -0.042667 0.115093 0.129939 0.088205 0.012614 0.003904 0.093264 0.274870 0.376296 -0.604121 -0.023162 0.031916 0.135768 -0.118140 -0.197852 0.128944 0.000766 -0.000975 0.162544 0.009547 -0.040221 0.072671 -0.090793 -0.075411 -0.224216 -0.008749 -0.007277 0.037856 0.139389 0.114442 0.032319 0.031672 0.037416 0.064043 0.006850 -0.001779 -0.019382 -0.033094 -0.020901 0.008035 -0.009821 0.016743 0.011418 -0.015352 0.006826 -0.010337 0.001512 -0.024286 -0.006628 -0.021984 -0.048755 -0.029511 -0.021819 -0.008337 0.017331 -0.036529 0.026477 0.227810 0.117354 0.018736 -0.073215 -0.061380 -0.087214 -0.074101 0.008039 0.005742 -0.300674 -0.173449 -0.134984 -0.111468 -0.016353 -0.118885 0.002274 0.049215 0.072651 -0.023618 0.025871 0.026315 0.092471 -0.180169 -0.122176 -0.182979 0.049519 -0.123229 -0.048561 0.005152 0.025723 -0.017807 -0.166869 -0.172902 0.088471 0.013561 0.037221 0.034616 0.011131 0.029655 0.039224 0.023905 0.036510 -0.028309 0.003797 0.018148 0.077458 0.080585 -0.000231 0.034535 0.030866 0.055369 -0.002620 0.045057 0.080303 0.035068 0.030267 0.036274 -0.077067 -0.408140 -0.193303 0.036444 0.498060 0.081412 -0.203096 0.265574 0.294407 0.178667 0.040797 0.019886 -0.053904 0.133722 0.114804 -0.236379 -0.066396 0.097341 0.044217 -0.043955 -0.047266 0.043426 -0.002194 -0.000517 0.058772 -0.065941 -0.264392 0.208100 -0.060395 -0.136173 -0.484438 -0.026625 -0.042461 0.113858 0.063207 0.042829 -0.113893 0.062277 0.089400 0.133554 0.006850 0.007725 0.005836 -0.014737 -0.033451 0.017867 0.003447 0.020237 -0.043593 -0.012159 0.021187 -0.018487 0.044197 0.093963 -0.043242 0.015856 0.020448 0.019886 -0.033398 -0.030639 0.089228 0.005736 -0.090714 -0.345126 -0.144313 -0.009137 0.098375 0.142316 0.180997 0.150526 -0.012126 0.002106 0.432120 -0.023393 -0.025778 0.140406 -0.059244 -0.053830 0.323214 0.031056 0.074360 -0.033900 -0.013697 -0.028086 -0.107892 -0.098781 -0.348017 0.713204 -0.038475 -0.073500 0.161202 0.022567 0.055782 -0.079322 0.014204 0.005368 0.071148 -0.006991 -0.014899 -0.029077 -0.013084 -0.036376 -0.098132 0.046416 0.070372 -0.081326 0.025715 -0.001455 -0.251172 -0.036254 0.026170 -0.061360 0.073294 0.168590 -0.096960 -0.006922 -0.011750 -0.012954 0.010639 0.011847 -0.038532 -0.031088 -0.001065 0.070702 0.057762 0.009755 -0.032824 -0.005252 -0.011525 -0.016380 0.006585 0.002565 -0.092813 -0.430827 -0.052559 -0.309961 0.192634 0.043548 0.220116 0.061023 0.034636 -0.001762 0.050401 0.010993 0.123293 0.235345 0.118371 0.178036 0.405419 0.265926 -0.206644 -0.058797 -0.083063 0.120014 -0.323084 -0.153330 0.165385 -0.058799 -0.067872 -0.049800 -0.016352 -0.031044 -0.064406 -0.014615 -0.026501 -0.001923 -0.018476 -0.008802 -0.053435 -0.040266 -0.018395 -0.027100 -0.036215 -0.042361 -0.000866 0.037121 0.044527 0.012217 0.029359 0.031441 -0.075453 0.039871 0.043690 -0.019850 -0.014839 -0.020366 0.012222 -0.037639 -0.040545 -0.019424 -0.009175 -0.007502 0.034569 0.051289 0.058029 0.143908 -0.189988 0.583972 0.044677 -0.027416 -0.029285 0.000844 -0.018165 -0.010123 -0.059521 0.379728 -0.147450 -0.100659 0.323767 -0.434734 0.074000 -0.013352 0.054072 -0.044418 -0.173765 0.131365 0.017591 -0.022797 0.034111 -0.000700 -0.001840 -0.086556 -0.094799 -0.020733 -0.099043 0.055683 -0.032707 0.016361 0.061647 -0.120817 0.017506 -0.026973 -0.027139 0.017061 0.006161 0.017253 -0.014745 -0.005603 0.018032 -0.007738 -0.007969 -0.027210 -0.026246 0.023066 0.032604 0.007798 -0.015713 0.021125 0.025080 0.010778 0.003721 0.004883 -0.038730 0.509405 -0.097823 0.018658 -0.502121 -0.029660 -0.020062 -0.053098 -0.025079 0.017516 -0.041201 0.005013 -0.036846 -0.301397 0.241700 0.094571 0.414765 0.117906 -0.051892 -0.045280 -0.036819 0.055477 -0.226834 -0.164401 0.068640 -0.053528 -0.028351 -0.036899 0.047365 0.015726 0.036558 0.061413 0.024071 -0.031580 0.030409 -0.023624 -0.059607 0.056585 -0.006906 0.013212 0.010831 -0.054311 0.004642 0.026354 0.046513 0.017918 0.020036 0.024579 -0.044455 0.003779 0.025277 -0.007736 0.016231 -0.010222 -0.002676 -0.013313 -0.015232 -0.006851 -0.001888 -0.005753 0.018585 -0.011494 -0.515037 -0.203575 0.112349 0.359593 0.074956 0.030952 0.095291 -0.022613 0.012822 0.041463 0.083459 -0.209313 0.504898 0.199091 -0.192528 -0.259584 -0.002565 0.025637 0.039581 -0.040187 0.101900 0.129883 -0.037686 0.037094 0.037786 0.037201 -0.007829 -0.046702 -0.053129 -0.031486 -0.057792 0.034371 0.023713 -0.044205 -0.100302 0.079182 -0.042267 0.008647 -0.021389 -0.105555 0.013080 -0.007916 -0.026571 -0.009422 -0.009529 -0.015947 0.025771 -0.005283 -0.024926 0.006179 -0.010512 0.009386 0.001109 0.013740 0.017547 0.007917 0.000963 0.006375 -0.016639</matrix>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
                     <array dataType="xsd:double" dictRef="cc:frequency" size="60">0.00 0.00 0.00 0.00 0.00 0.00 31.63 42.98 51.33 54.42 69.32 90.39 133.07 165.94 193.63 197.55 215.92 234.32 249.05 253.95 258.27 290.73 292.90 304.56 326.69 349.66 358.36 368.74 381.69 424.28 493.32 517.77 529.76 541.03 556.77 569.11 596.81 602.66 625.27 663.31 699.43 716.38 763.25 932.77 1040.73 1087.53 1102.14 1123.32 1136.86 1160.58 1163.48 1177.51 1186.27 1218.96 1220.54 1234.37 1280.87 1290.49 1294.73 1340.78</array>
                     <matrix cols="60"
                             dataType="xsd:double"
                             dictRef="cc:displacement"
                             rows="60">0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -0.010854 -0.020097 0.087262 -0.015090 -0.006421 0.092048 -0.016337 0.087456 0.251387 -0.016643 -0.220576 0.109626 -0.007861 0.055781 -0.131126 0.004170 -0.003519 0.092032 0.014116 -0.008579 0.093719 0.001648 0.012915 0.097701 0.014429 -0.013603 0.095808 -0.027820 -0.006063 0.093878 -0.019831 0.003166 0.097369 0.081789 0.341789 -0.147966 -0.041008 -0.080896 -0.039651 -0.071950 -0.031549 -0.406733 -0.007743 -0.091662 0.238823 0.008887 0.185390 0.143054 0.020370 -0.040700 -0.137617 0.047418 0.109187 0.001940 0.107410 0.068199 -0.377987 -0.077134 -0.320631 -0.155334 -0.031263 -0.007085 0.018655 0.005205 -0.000384 -0.160814 0.039712 -0.006315 0.082448 -0.191390 -0.005870 0.045085 0.023268 -0.008885 0.112998 0.003816 0.009014 -0.162841 -0.104276 -0.040600 -0.223593 0.025434 0.000377 -0.013274 0.090646 0.063897 -0.246736 0.138392 0.063211 -0.212474 -0.091606 -0.055570 -0.269794 0.249269 0.028321 0.121214 -0.059249 -0.043421 0.331264 -0.076243 -0.013715 -0.025279 -0.037232 0.005379 0.017929 0.160862 -0.018287 0.008974 -0.027991 0.005737 0.107106 0.082795 0.069507 0.417200 0.158043 0.023024 -0.119115 -0.345781 -0.071526 0.081893 0.001639 0.003387 0.040854 -0.011022 -0.052478 0.087464 -0.037547 0.032190 0.051272 0.025215 -0.011736 0.037259 0.009046 0.028818 -0.026620 0.000215 -0.038748 -0.136714 -0.070850 -0.261480 -0.281451 0.016985 0.019348 -0.032363 0.085488 0.146585 -0.299779 -0.050000 -0.267752 0.188018 0.026499 0.099198 0.238854 0.187631 0.226609 -0.033110 -0.057558 -0.106200 0.151193 -0.112776 -0.013187 -0.274370 -0.048812 0.029569 -0.006209 0.089278 0.030294 -0.013749 -0.006184 0.028956 0.056802 -0.062861 -0.136097 -0.164488 -0.169181 -0.028101 0.309436 0.188352 0.249848 0.079259 -0.057884 -0.012699 0.054352 -0.070691 -0.129952 0.067880 -0.151060 0.077157 0.110104 -0.068128 -0.064885 0.062925 0.083085 0.097955 -0.014853 -0.086375 -0.136359 -0.035344 -0.056011 -0.211944 -0.070988 -0.083813 -0.055286 -0.093857 -0.101744 -0.098946 -0.052047 -0.078558 -0.244576 0.121799 -0.026332 -0.078156 0.138974 -0.032894 0.097593 -0.020212 0.128413 0.289791 -0.140886 0.288078 0.014147 0.059013 -0.126435 0.057272 -0.210505 -0.169168 -0.158495 -0.138247 0.105342 0.095864 0.025084 0.130605 0.312138 0.191640 0.351178 -0.030978 -0.072241 -0.063294 0.085394 0.013044 0.076428 0.082527 -0.065873 0.050364 0.045903 0.093286 0.026186 -0.017907 -0.266946 0.233351 0.261958 -0.114748 -0.036299 -0.015677 0.002826 -0.017034 0.004906 0.074008 0.048123 0.072412 0.128621 -0.035087 -0.064055 -0.085200 -0.138495 -0.027246 0.158406 -0.023563 -0.052593 0.147330 0.157165 0.102248 0.209326 0.165690 0.058843 0.006256 -0.114298 -0.246115 0.213497 -0.282017 0.045645 -0.172247 0.068682 0.021447 -0.258605 -0.171064 -0.229024 -0.156761 -0.003387 -0.011385 0.013321 0.052128 0.085955 0.199642 0.154380 -0.044282 -0.113614 -0.192618 -0.046831 -0.001305 0.064662 -0.027755 0.133030 0.068716 0.091256 0.087260 0.172765 0.008704 0.292635 0.044124 -0.219522 0.159055 -0.062394 -0.045430 -0.025174 0.094687 0.111475 -0.055438 0.121540 0.031157 -0.095065 0.087305 0.044136 -0.130588 0.055892 0.196328 -0.090622 0.059968 0.014678 0.123986 0.012083 0.184436 0.133153 -0.304041 -0.035175 -0.037350 0.025691 -0.117729 -0.255285 -0.035322 -0.016388 0.078077 0.201358 0.087190 -0.260148 0.063248 -0.100707 -0.173369 -0.112923 -0.024003 0.013154 -0.008795 -0.191731 0.197735 -0.128822 0.059235 -0.082583 -0.321547 0.011056 0.000015 0.019871 -0.159198 -0.053802 -0.016900 -0.094272 0.020094 -0.008459 -0.175741 -0.109660 0.057947 -0.128265 -0.063368 0.168780 -0.120248 -0.014474 0.027656 -0.013906 0.049144 0.125241 0.024815 0.099291 -0.000491 0.160258 -0.014693 0.033506 -0.107809 0.110615 -0.086244 -0.118320 0.042841 -0.008789 -0.053503 0.061196 0.316563 -0.108459 -0.008196 0.128317 0.052558 0.103217 0.294094 -0.219432 -0.085520 -0.041261 0.195268 -0.032936 -0.050120 0.186956 -0.017523 -0.176619 0.153468 -0.022822 -0.105210 -0.057930 0.062994 -0.310325 0.312299 -0.095245 -0.283281 0.145438 -0.030402 0.206753 0.021661 0.049400 0.154275 0.045333 0.013378 0.309091 0.005756 0.124569 0.247367 -0.068306 0.054113 0.093949 -0.071837 -0.010522 -0.135905 -0.053744 0.000216 -0.275219 -0.093097 -0.066891 -0.189357 -0.053935 0.033913 -0.188494 0.080819 -0.060148 0.285046 0.099873 -0.037197 0.218052 -0.080467 -0.056682 0.023004 -0.092913 -0.012617 0.131352 -0.241419 -0.093660 0.007635 -0.005852 0.029842 -0.278786 -0.062960 0.107408 -0.230366 0.028167 0.047302 -0.092282 0.100114 -0.018954 -0.152772 0.281059 -0.083670 -0.010949 -0.001904 0.028476 -0.044037 0.115782 -0.014471 0.030425 0.100914 0.069831 0.038006 -0.174674 0.015833 -0.113639 0.142010 0.007098 0.087006 0.201865 0.047538 -0.058777 0.107224 0.039492 0.031106 -0.194190 0.028821 0.133211 -0.271573 0.015471 0.063122 0.056360 0.022783 0.096546 -0.255974 0.045524 0.218821 -0.117673 -0.042828 0.096648 -0.374334 -0.129079 -0.204045 0.162012 0.029250 -0.021398 -0.110057 -0.074355 -0.207084 0.202764 0.074741 -0.069625 0.169604 -0.036974 0.074283 0.004861 0.016438 -0.006177 0.090624 -0.002033 0.051075 -0.131303 0.040305 -0.205321 0.324402 -0.106293 -0.019092 -0.003647 -0.006619 -0.026971 -0.055596 0.028160 -0.017953 0.032407 0.081206 -0.048491 -0.097702 -0.060349 0.030745 0.004201 0.012834 0.004438 -0.054177 0.008115 -0.019057 0.062753 0.099887 -0.190791 -0.097676 -0.034056 0.007074 0.018978 0.169684 0.055108 0.285368 -0.080513 -0.039943 0.195404 0.013206 -0.032124 -0.076439 -0.020500 0.014771 0.012129 0.003837 0.002488 0.018272 0.018744 0.102588 -0.137697 -0.058817 0.039974 0.259199 -0.152047 -0.044160 -0.386333 0.060822 0.035840 0.020272 0.071991 -0.031212 0.114445 -0.052937 -0.172416 0.313757 -0.101687 0.301625 -0.446841 0.072273 0.055895 0.080217 -0.168879 0.016566 0.024526 -0.161834 0.176076 0.220868 0.175511 -0.136012 -0.232347 -0.095547 0.042462 0.065499 -0.082865 -0.018154 -0.029376 -0.120527 0.023067 0.166640 0.005498 -0.024912 -0.007182 0.013188 -0.030596 -0.224178 0.024334 -0.173318 -0.225644 -0.018521 0.167745 0.206377 0.084650 0.182261 -0.250492 -0.052999 0.002138 0.024548 0.023942 -0.170600 0.272064 0.111292 -0.264215 0.143910 -0.018358 0.158150 -0.160865 0.013246 0.005542 0.003790 0.046939 -0.026135 0.043261 -0.014242 -0.105506 0.150591 -0.034271 0.144132 -0.231606 0.045045 0.015209 -0.011360 0.063203 0.020440 0.034706 -0.055507 0.322928 -0.248931 -0.044187 -0.201297 0.286863 0.059025 -0.024554 -0.042840 0.098317 -0.018621 -0.009679 -0.124839 0.272840 0.051902 -0.006855 -0.037885 -0.024788 -0.098926 -0.303903 -0.010425 0.025253 -0.085037 -0.016751 -0.009824 0.082877 0.056330 0.010458 -0.206296 0.285923 0.057705 0.018956 -0.041758 -0.019468 0.166007 -0.222237 -0.083210 -0.392707 0.060255 0.041204 0.281943 -0.045108 -0.027605 0.013658 -0.022666 0.022134 0.013839 -0.024512 0.021445 -0.009670 0.006899 0.000403 0.054434 -0.081776 0.019236 0.007418 -0.006614 -0.022223 -0.003307 0.039490 0.076993 -0.098214 0.078646 0.026174 0.099409 -0.111465 -0.020171 0.029545 -0.013396 -0.043137 -0.065087 -0.015767 0.045562 -0.054808 -0.103115 -0.008275 -0.002551 -0.003906 -0.044657 -0.332972 0.216535 0.032819 -0.075620 0.219433 0.003355 -0.008834 -0.039434 0.000196 0.110410 -0.140176 -0.027952 0.010886 -0.001292 0.010598 -0.021775 0.036234 0.007953 -0.277073 0.113026 0.006478 -0.074942 0.135005 -0.026253 0.200528 -0.061972 -0.023564 0.365670 -0.569824 0.149240 0.060367 0.097592 -0.089705 0.056799 0.117548 -0.027576 0.001784 0.041612 -0.121552 0.009303 -0.014095 -0.040359 0.310650 -0.023730 0.065731 -0.353882 0.028703 -0.054238 -0.035730 0.025082 -0.002586 0.009380 -0.032174 0.138944 -0.030025 -0.210430 0.007904 0.026689 0.001359 0.047708 0.101315 0.096862 -0.011202 -0.427640 0.159020 -0.029827 0.490451 -0.279474 0.047950 -0.026621 -0.003817 -0.007908 -0.063145 0.081494 0.057476 -0.035655 0.034330 -0.008812 0.224275 -0.067940 0.008229 -0.165161 0.018760 0.014293 -0.000901 0.031389 -0.033211 0.025665 -0.038064 -0.000399 0.010343 0.016880 -0.023910 -0.071945 0.139313 -0.032165 0.026408 0.004945 0.030648 0.024372 0.020690 -0.121787 0.211619 -0.115098 -0.012250 -0.124329 0.133583 0.031979 0.002396 -0.011917 0.060403 -0.041151 -0.038242 -0.012997 -0.491534 0.231820 0.010083 -0.002608 0.007039 0.091038 0.261348 -0.273185 -0.012572 0.077664 -0.195287 -0.021501 -0.037324 0.212051 0.021685 -0.112111 0.167654 0.039037 0.035062 -0.059974 -0.024082 0.075574 -0.082133 -0.010759 0.022774 0.084736 -0.037610 -0.317976 0.067290 0.019915 0.111562 -0.017758 -0.010813 0.192445 -0.304511 0.056173 -0.007354 0.122389 -0.064030 0.058353 0.027239 -0.010649 -0.082347 -0.005595 0.001978 0.068927 0.023204 0.024957 -0.007907 -0.063764 -0.020040 -0.013880 -0.088360 -0.003972 -0.193179 -0.020264 -0.052166 -0.055497 -0.017569 -0.016692 -0.186341 0.111163 0.023043 0.055689 -0.114784 0.015768 -0.213370 0.010469 0.055655 0.320340 -0.122969 0.038003 0.178770 -0.006659 0.071651 -0.100223 -0.130144 -0.038811 -0.270967 0.363086 0.100102 -0.040690 -0.142514 -0.127038 0.130424 -0.233125 0.100981 0.262472 -0.231966 0.036498 0.032356 0.126231 -0.046656 0.080929 -0.022372 -0.006105 -0.064436 0.253259 -0.116985 0.004010 0.252545 -0.044106 0.021972 -0.027046 0.019686 -0.023678 -0.056188 -0.027903 -0.263765 0.140393 0.030343 -0.119617 0.082837 0.033000 0.186528 -0.044815 0.069620 -0.013315 0.025802 0.001913 -0.222340 0.199244 0.041734 0.062331 -0.098182 0.016055 -0.092034 0.057812 0.019316 -0.259414 -0.008473 -0.003331 -0.000355 -0.051173 -0.006062 0.055579 0.094448 0.051876 0.270941 -0.462832 -0.101223 0.098635 0.015584 0.105224 0.093812 -0.159331 0.066683 0.299673 -0.261325 0.032145 0.010068 0.090146 -0.071537 0.032010 0.004277 -0.063675 -0.005748 0.122838 -0.101735 -0.057067 0.261664 -0.071087 -0.013537 0.018379 -0.057185 0.013507 -0.041680 -0.064038 0.017920 0.037047 -0.003694 -0.348383 0.156987 -0.026716 0.072531 -0.022261 -0.063994 -0.026396 0.007457 -0.028471 0.160039 -0.066061 -0.021512 0.008157 -0.011573 -0.019117 -0.351887 0.171206 0.022210 0.192158 -0.254157 -0.009467 -0.095859 0.069227 -0.040121 0.098450 -0.112527 -0.067325 0.109066 -0.149506 -0.147821 -0.008238 0.042401 -0.026718 0.314501 -0.219655 0.041657 -0.251515 0.195553 -0.025453 0.031818 0.038861 0.106043 0.050766 0.062285 0.162381 -0.141083 0.221206 0.050695 0.180263 -0.170310 0.111329 -0.066169 0.032691 0.017028 0.076319 -0.028602 0.005084 -0.301696 0.182771 0.061852 -0.194761 0.088958 0.029845 -0.031450 -0.094724 -0.010196 -0.019090 0.102607 -0.008468 -0.115316 0.261182 0.053676 0.006077 0.149988 -0.028797 -0.004383 0.118543 -0.028123 0.208384 -0.145283 0.034407 0.407842 -0.212823 0.065308 -0.052760 -0.161483 -0.011311 -0.042247 -0.092136 0.001957 0.086167 -0.213149 -0.093159 -0.050368 0.295155 -0.152013 0.081365 0.243675 0.002374 -0.010495 -0.086458 0.007344 -0.051715 0.006652 -0.043526 0.095967 -0.231352 0.085989 -0.023855 -0.157542 0.003634 -0.034715 0.061034 0.023338 0.018858 0.044463 0.106980 0.029643 0.048821 0.059477 -0.351863 0.314037 0.041481 0.027224 -0.036636 -0.109809 0.068111 -0.026315 0.150656 0.110639 -0.200344 0.081216 -0.011312 -0.023622 0.143195 0.239276 0.030810 0.051463 0.229129 0.103782 0.059368 -0.164382 0.152343 0.089430 0.157043 -0.306896 -0.106297 0.046159 0.001262 -0.171533 -0.037419 -0.021525 -0.159721 -0.184398 0.118517 0.092307 -0.024891 -0.271652 0.102952 -0.017019 -0.001529 -0.065156 -0.024426 -0.077949 -0.120177 0.098040 -0.083567 -0.081850 -0.148794 0.186999 -0.069825 0.025872 -0.063508 -0.006632 -0.057675 -0.103808 0.072645 0.279817 -0.271685 -0.110229 -0.056065 -0.064763 0.008747 0.030834 0.086479 -0.040017 -0.065225 0.058579 0.129261 -0.204470 0.046480 0.105408 0.043652 0.097039 0.090607 -0.162848 0.224344 0.082076 0.038643 -0.280328 0.133481 -0.212264 -0.243103 -0.118286 0.132951 0.077084 -0.039459 0.067142 0.089951 -0.117600 -0.171020 0.277899 0.071351 0.107064 0.258806 -0.109116 0.218457 0.039091 0.130702 -0.006857 -0.036087 -0.036279 -0.039852 -0.030438 -0.112502 0.125815 -0.170870 -0.002773 -0.099715 0.034881 -0.040630 -0.025190 -0.106942 -0.048690 0.102565 -0.041313 -0.011427 -0.166303 -0.173538 -0.258452 -0.180105 -0.306839 -0.004075 0.012086 0.055165 0.035273 0.109301 0.072429 0.006465 0.255645 0.221784 0.123413 -0.063857 -0.059071 0.034950 0.199019 0.288634 -0.162225 0.182632 -0.113895 -0.004001 0.174508 -0.040433 0.027704 -0.018676 0.232934 0.032323 0.035062 -0.022592 -0.003424 -0.065899 0.162286 0.150359 -0.250380 -0.076482 0.173014 -0.278558 -0.182329 -0.033578 0.006015 0.008382 -0.009231 0.026265 -0.051668 0.010213 0.004749 0.033820 -0.042763 -0.010099 0.073341 -0.010146 -0.046825 -0.069255 -0.042208 0.074024 0.078911 0.029537 -0.150177 -0.161013 -0.266944 -0.281968 -0.259030 0.007977 0.031864 0.029182 0.021679 -0.018755 -0.091545 0.025321 -0.151077 -0.290304 -0.109602 0.055293 0.022413 -0.007360 -0.131877 -0.230357 0.175417 0.225109 0.315469 -0.088689 0.160850 0.272737 0.236583 0.040042 0.171138 0.019779 0.071238 -0.086270 -0.045772 -0.014270 0.111470 0.127902 0.086256 0.100075 -0.120001 0.165783 0.121867 0.035775 -0.011052 -0.007802 0.002110 -0.037809 0.050922 -0.031380 -0.003055 -0.042017 0.039404 -0.032398 -0.048643 0.000243 -0.039072 -0.077841 0.204572 -0.026549 -0.038423 0.183045 -0.039390 -0.262956 0.003886 -0.045530 0.138647 0.228906 0.017782 0.010939 -0.011422 -0.007422 -0.016454 -0.078667 -0.111177 0.214951 0.017341 -0.027899 -0.065776 -0.240569 0.148324 -0.113748 -0.111599 -0.037555 0.236156 0.110160 0.022286 -0.203251 0.142018 0.216522 -0.127831 -0.002521 0.105590 0.133535 -0.235167 -0.216272 0.124641 -0.086011 -0.126639 -0.229960 -0.075871 0.095692 0.141481 -0.227805 0.005501 0.004998 0.002757 0.051938 0.086387 0.155828 -0.142811 0.073585 0.070014 0.128208 -0.090531 0.006898 -0.034423 -0.106426 0.182923 0.006895 -0.009065 -0.159983 -0.174112 -0.197265 0.086769 0.150737 0.087266 0.209487 -0.006936 -0.043127 0.107215 -0.008997 0.032090 -0.182218 0.136750 0.079122 -0.196901 0.013235 0.090514 0.171682 -0.201326 -0.119122 -0.066360 -0.117324 -0.030881 -0.190429 0.199283 0.091431 -0.010680 0.128148 -0.027195 0.145059 0.123235 0.153822 -0.212066 -0.231759 -0.029829 -0.080888 0.172240 0.163651 0.130695 -0.169371 -0.106569 0.161634 -0.002208 0.022780 0.083809 -0.094642 -0.131245 -0.212100 0.197741 0.016911 -0.106511 -0.095578 0.019212 0.088986 -0.108833 0.050410 -0.032023 -0.141785 0.045303 0.067955 0.056836 -0.001426 0.042707 0.008584 0.016393 -0.071289 -0.107435 -0.017921 -0.070589 -0.146913 0.072617 -0.062883 0.073332 0.046326 -0.015647 -0.165664 0.059471 0.016551 0.025355 -0.090375 -0.092185 0.079024 0.065739 0.045133 -0.001135 -0.096958 0.091435 0.168411 0.091755 -0.100721 -0.163155 -0.099287 -0.081029 0.098657 -0.039423 0.199996 0.054817 -0.009922 -0.079745 0.029745 0.034702 0.081643 -0.208972 -0.067166 0.088073 -0.212138 -0.140420 0.148668 0.199357 -0.025020 -0.453539 0.423835 0.240402 0.165082 -0.161279 -0.023145 -0.048255 -0.101718 0.008079 0.037561 0.029242 -0.037151 0.178765 0.053683 0.109127 -0.141356 -0.214944 -0.085993 -0.115557 -0.040277 0.007678 -0.036558 0.018911 0.048403 -0.025915 0.033562 0.055594 -0.009973 -0.023307 -0.038253 -0.047981 0.062784 0.045938 -0.010741 0.009970 -0.063870 0.095335 0.335266 0.205589 -0.174437 -0.329453 -0.085260 -0.196356 0.084324 -0.111897 0.391699 0.026437 0.003593 0.110699 -0.027039 -0.068185 -0.066390 0.129933 0.089669 -0.016618 0.118517 -0.013846 -0.168592 -0.021417 0.039575 0.258811 -0.279581 -0.186586 -0.061767 -0.042612 -0.085576 0.007180 0.045000 -0.006920 -0.166262 -0.090825 -0.051956 0.136370 0.095456 0.071896 -0.026876 -0.083542 -0.091482 0.065819 0.042837 -0.009128 0.119053 -0.021497 -0.126004 0.091993 0.007612 -0.034388 0.077719 0.035411 0.131431 0.093884 -0.045780 -0.139102 -0.200883 0.114189 0.175962 -0.073518 0.158706 0.105733 0.092607 -0.031895 0.088111 -0.192253 -0.140996 -0.135454 0.099798 -0.030967 0.082827 -0.053263 0.025925 -0.018443 0.111632 -0.062009 -0.110528 -0.213817 0.133163 0.197977 0.427155 -0.294315 -0.179601 0.050115 0.228039 0.154216 -0.220903 0.004783 -0.125456 -0.056387 0.026882 -0.182255 -0.098963 -0.024049 -0.031855 0.157443 0.057783 0.078456 -0.125430 0.022952 -0.040195 0.017285 -0.004820 -0.249754 0.113928 -0.008926 -0.039111 0.383764 -0.020260 -0.271131 -0.008318 0.044602 0.162330 -0.206134 0.007696 0.002331 -0.288508 -0.021691 0.124977 0.166718 -0.020092 0.048765 0.020287 0.026584 0.062345 -0.000359 -0.074229 -0.015902 0.017859 -0.079465 -0.154102 -0.347904 0.089076 0.195322 0.167913 0.061252 -0.012498 0.126739 -0.083019 -0.001849 -0.220883 0.071093 0.151467 -0.085094 -0.129772 0.012833 0.140914 0.024947 0.026118 -0.008071 0.145227 0.145653 -0.048686 -0.046382 0.072616 -0.036531 -0.013817 -0.026735 0.010420 -0.095669 -0.086156 0.082177 0.154378 0.108608 0.148273 -0.142477 -0.177496 -0.042199 0.058127 -0.022590 -0.178362 0.156871 0.140892 0.361438 -0.070772 -0.149671 0.125195 0.078398 0.106056 -0.301021 0.142235 0.083074 0.133837 -0.037725 0.072913 -0.189722 -0.121162 -0.186709 0.071291 -0.152329 -0.149627 0.003879 0.060630 0.085993 -0.289722 -0.020983 0.013427 0.150381 -0.148482 -0.071894 -0.170359 0.155003 0.106443 -0.126115 -0.005942 -0.037487 0.180475 -0.003717 -0.236295 0.098331 0.107395 -0.104845 -0.083667 -0.153736 -0.301603 0.213526 0.063284 0.191264 0.105249 0.088836 0.045071 -0.224579 0.182990 0.040529 0.041672 -0.094273 -0.036936 -0.082019 0.126067 0.025606 -0.054436 0.016075 0.097654 0.210832 -0.045283 -0.068427 -0.178283 0.075628 0.083407 0.001127 -0.103727 -0.056381 -0.409614 -0.114418 -0.061666 0.253540 0.165310 0.297490 0.056927 -0.048690 0.032630 0.101756 -0.016860 0.005043 -0.173829 -0.027856 -0.059249 0.038970 -0.075120 0.034172 0.001078 0.010002 -0.004513 -0.085736 0.049197 0.045011 0.055931 -0.058799 -0.124791 -0.162068 -0.156913 -0.181944 -0.013223 0.050504 0.008727 0.172655 0.024403 0.022908 -0.342447 0.081651 -0.036427 0.099894 -0.047852 0.060058 0.056367 -0.085586 -0.030081 0.046655 0.012277 0.266366 -0.116972 0.019975 0.070628 0.070890 0.122349 0.017727 -0.244585 -0.077760 -0.073412 0.303731 -0.094260 0.045004 0.174935 0.214331 0.068432 0.014328 -0.135895 -0.030490 -0.074310 0.036439 0.045365 0.259730 0.045316 -0.082810 -0.333355 -0.117527 0.149716 -0.018966 -0.046769 -0.148016 0.067196 0.148436 -0.088171 0.035482 0.118919 -0.124878 -0.019837 -0.042807 0.138185 0.144443 -0.100037 0.105785 -0.103754 -0.021304 -0.055166 -0.116274 0.057093 -0.026263 0.310880 -0.045865 0.096026 -0.034612 -0.226548 -0.021115 0.095341 0.014767 -0.136201 0.236296 -0.207613 0.096628 -0.035647 0.071573 0.047646 -0.072541 -0.056695 -0.110059 -0.122399 0.107795 0.145899 -0.116999 0.031668 -0.083308 -0.065586 -0.088966 -0.084396 -0.000715 0.130428 0.079859 -0.032364 0.019844 -0.118400 -0.077375 0.095441 -0.016669 0.032676 -0.152622 0.367610 -0.087308 0.024193 -0.284002 0.088040 0.222764 -0.085786 0.185267 0.097056 -0.254806 -0.118757 0.000014 0.237765 0.114810 -0.163910 -0.076018 -0.074712 0.111818 0.120913 -0.227278 0.041641 -0.082821 0.316046 -0.093271 0.110984 0.025469 -0.115385 -0.084617 0.048982 -0.059943 -0.087303 0.271556 0.097423 0.158220 -0.070214 -0.035458 0.033936 -0.138658 -0.030195 -0.063261 -0.275883 -0.023026 0.019598 0.129607 0.073338 -0.067478 0.068284 -0.145354 -0.073446 -0.095365 0.115433 -0.011393 -0.040875 0.077847 0.144432 0.253284 0.037847 -0.022510 -0.334502 0.093622 -0.228492 0.065694 -0.012613 0.150504 -0.058900 -0.113529 0.028823 -0.113587 -0.049598 0.124617 0.095176 0.242560 -0.109094 -0.011167 0.350670 -0.081726 0.060379 -0.038010 0.093921 -0.034783 -0.075836 0.031421 0.034448 0.061027 -0.171746 -0.063038 0.167475 -0.354201 -0.021624 -0.072709 0.007020 0.241699 0.263555 -0.015068 -0.019379 -0.159795 -0.086384 -0.298975 -0.069165 0.098738 0.195097 -0.044040 0.093311 -0.141262 -0.002302 0.081566 -0.179448 -0.001084 0.114127 0.051144 -0.141135 -0.132827 0.137026 0.074068 0.157376 0.165021 -0.030844 -0.002348 -0.134683 -0.109328 0.079633 -0.017311 -0.102434 -0.040321 0.069651 0.079462 -0.076857 -0.009128 0.093275 -0.034367 -0.026572 -0.229537 -0.044585 -0.053104 -0.129741 0.303036 0.004623 -0.120940 -0.245941 0.214783 0.032876 0.022935 -0.245442 0.009731 0.050767 0.023057 -0.302860 0.026075 0.041440 0.013273 -0.132901 0.263889 -0.148977 0.141863 -0.033933 -0.001614 -0.107335 -0.222179 0.058244 0.008397 0.291477 0.178893 0.148707 -0.296935 -0.041453 -0.025117 0.070838 0.130274 -0.052444 0.035894 0.041913 0.123510 -0.079224 0.080045 0.044933 0.097500 0.063415 -0.016424 -0.136285 0.077126 -0.106205 0.026208 0.048906 0.055717 -0.044517 -0.067208 0.027368 -0.031851 -0.051076 0.046630 0.044052 0.053367 0.037043 0.024694 -0.191091 0.095759 -0.017411 0.020782 0.096704 -0.082729 -0.004111 0.011251 0.162799 0.147824 -0.274129 -0.097662 -0.273374 0.205227 0.023531 0.042798 -0.052691 0.004273 -0.283331 0.147173 -0.011950 0.071822 -0.010122 0.033298 0.021835 -0.044758 -0.066765 0.026282 -0.013414 0.021713 -0.055169 0.095965 -0.415193 0.321706 0.139828 0.199827 -0.281983 -0.240094 0.209358 0.025493 -0.050369 -0.015354 0.055043 -0.021225 -0.007987 0.071455 -0.064417 0.012924 0.077224 0.021768 -0.041478 -0.051099 0.032058 -0.005850 -0.049284 0.022395 0.029242 -0.441846 0.301286 0.044987 -0.344255 0.170559 -0.046614 0.051991 -0.046796 -0.003075 0.062905 -0.039661 0.000784 -0.111475 0.073204 0.010329 0.164238 -0.102777 -0.014228 -0.014928 0.013295 0.005495 0.531058 -0.286343 0.047314 -0.028899 0.024000 -0.000559 0.039355 -0.021179 0.009873 0.053336 -0.023700 -0.001451 0.004105 -0.015699 -0.123932 0.237239 -0.028896 0.074414 -0.046276 -0.078003 0.032793 -0.070346 0.028514 -0.009021 -0.066283 0.035556 -0.003936 -0.040959 0.028262 -0.004202 -0.105335 -0.005182 0.038385 0.049901 0.017272 0.025790 0.025521 -0.004617 -0.065021 -0.120554 0.094126 0.031791 -0.017037 -0.091234 0.010465 0.016832 -0.011337 -0.001656 0.011444 -0.012358 -0.015436 -0.058651 0.065375 0.010733 0.142602 -0.186351 -0.020105 -0.025290 0.026804 -0.005391 0.085367 0.286127 -0.096597 -0.014854 0.031802 0.018663 -0.000958 0.019174 0.022645 0.016918 0.032780 -0.028765 0.006277 -0.009753 -0.032432 0.054826 -0.011046 0.014974 -0.008708 -0.029788 0.008903 -0.036245 -0.079816 -0.038792 -0.029200 -0.042866 0.092352 -0.087623 0.149230 -0.032188 0.446802 0.074664 -0.172609 -0.261037 -0.362185 -0.249461 -0.023362 -0.035072 0.492766 -0.126140 0.336891 0.158800 0.236238 -0.159423 0.123157 -0.011673 -0.092108 0.026201 -0.005264 -0.043765 -0.118554 -0.175964 0.215614 0.022225 0.038029 -0.346602 -0.093221 -0.003425 0.063595 -0.051229 -0.446322 -0.150095 -0.375246 0.067864 0.100502 0.113609 -0.044304 0.006049 -0.040618 -0.014598 0.038151 -0.027677 0.021245 -0.030346 -0.079700 0.121243 -0.026462 0.032821 -0.020378 -0.093318 0.025847 0.132308 0.159519 0.127831 0.023982 -0.011809 0.075930 0.039244 -0.015372 0.027965 -0.053870 -0.014466 0.022259 0.010656 0.038258 0.014170 0.003493 0.001666 -0.069427 0.104606 -0.137710 -0.069214 -0.049183 0.260921 0.182099 -0.008626 0.028602 -0.002871 -0.014736 0.019450 0.031852 0.041992 -0.146806 -0.062111 -0.095724 0.271830 0.106782 -0.012641 -0.045922 0.033112 0.147470 -0.384986 -0.640176 0.013835 -0.067889 -0.053990 -0.004855 -0.077435 -0.117276 -0.008418 -0.042615 0.018334 -0.010429 0.020371 0.061019 -0.037873 0.014608 -0.006520 0.018012 0.058205 -0.013940 0.046977 0.164423 0.131607 -0.055587 -0.021685 0.197381 -0.031154 0.054338 0.021572 0.080058 0.013096 -0.033079 -0.049911 -0.057881 -0.048855 0.008577 -0.020945 0.070077 -0.157431 -0.136790 0.011255 -0.209896 -0.263921 0.125838 0.068302 0.079219 -0.041560 0.015895 0.011643 0.029386 0.070272 0.032302 -0.026387 0.309685 0.059277 -0.085193 -0.079564 -0.040851 0.090262 0.080849 0.522754 -0.421471 -0.047551 -0.018681 -0.026251 0.024851 0.034561 0.037879 0.087986 0.101172 -0.101131 -0.006063 -0.001049 0.011412 -0.013776 -0.004260 -0.002588 -0.010989 -0.007667 0.005874 -0.053754 -0.130938 -0.045036 -0.065790 -0.106505 0.266636 0.030974 -0.096433 0.039492 -0.119831 -0.005116 0.041212 0.077491 0.121877 0.074741 0.005629 0.015088 -0.164869 -0.135459 -0.246787 -0.239824 -0.402308 -0.251730 -0.257620 0.056311 0.090216 -0.028771 0.047120 0.036317 0.162240 0.324372 -0.070191 0.093059 -0.122569 -0.347680 0.036119 0.039702 0.088171 -0.105650 -0.126489 -0.251538 -0.092156 0.070458 0.117288 0.111134 0.085608 0.107292 0.208111 0.085056 0.092016 -0.062072 -0.026588 0.013964 0.011997 -0.133698 0.010972 -0.044506 -0.018258 0.023818 -0.010249 0.066342 0.115889 0.074314 0.021717 0.025872 -0.029004 0.015713 0.033374 0.007023 -0.006824 -0.003678 0.003309 -0.029666 -0.039806 -0.030647 0.003347 -0.003710 0.017475 0.002333 0.157067 -0.466443 -0.034667 -0.099647 0.331713 -0.030188 -0.078967 0.064178 0.019326 0.018987 0.167300 -0.132237 -0.013593 -0.169720 0.090133 -0.095530 0.618424 0.040372 0.125342 -0.207044 -0.072245 0.063689 0.043235 -0.064972 -0.080039 -0.138054 0.001899 -0.041513 -0.092005 0.026579 0.080168 -0.081389 -0.004768 0.019727 0.085431 0.074183 -0.005896 0.030135 0.008030 -0.017675 0.009986 -0.015512 -0.026859 -0.017249 0.033282 0.006854 -0.048228 0.012690 -0.017777 -0.030849 -0.040989 -0.004854 0.014362 0.019928 0.032128 0.017088 0.000982 -0.000803 0.031677 -0.031160 0.148131 -0.137924 0.186863 0.095190 -0.645678 -0.043243 -0.061152 0.034968 0.034819 -0.016431 0.050112 -0.039714 0.011862 0.343968 0.190749 0.128797 0.350380 -0.015258 -0.026513 -0.012454 -0.080857 0.094451 -0.214999 -0.063009 -0.061181 -0.105362 0.026247 0.043795 0.154236 -0.108882 -0.121079 0.163218 0.013209 -0.015746 -0.138098 -0.002255 -0.003002 -0.024310 0.009958 0.008500 -0.027214 -0.006518 -0.010236 0.012439 0.002159 -0.029555 0.072304 -0.001232 -0.020387 0.004249 -0.002964 -0.000547 0.000485 0.015150 0.031590 0.015798 0.002116 -0.001920 -0.009935 -0.280348 -0.313605 0.065282 0.054784 0.134571 -0.128738 0.091185 0.177164 -0.080877 0.030732 0.037079 0.073487 -0.484087 -0.432465 -0.235896 0.241879 -0.107519 -0.035466 -0.020152 -0.006457 0.021427 -0.250272 -0.023217 0.043139 -0.018314 0.010600 -0.001087 0.002353 -0.000515 0.022910 -0.012585 -0.040791 0.039712 0.022348 0.039356 0.107315 0.181846 0.012665 0.065006 0.101902 0.200239 -0.044383 0.035877 0.030285 0.017212 0.025872 0.010356 -0.034882 0.014651 0.006835 0.000683 -0.001757 -0.006745 0.003116 -0.009718 -0.008031 -0.006426 -0.002564 0.000221 0.000239 0.235300 0.273441 -0.562275 -0.028667 0.115288 0.030622 -0.100173 -0.140136 0.108912 0.007688 0.010296 0.168829 -0.169860 -0.273487 0.107624 -0.058982 -0.166696 -0.469152 -0.028199 -0.036335 0.104452 0.083632 0.131679 -0.041932 0.061055 0.089927 0.134198 0.010655 0.010014 0.011155 -0.043755 -0.053431 0.039370 0.002339 0.031408 0.008925 0.031614 0.018934 0.000797 0.053091 0.083031 -0.040419 -0.000998 -0.026830 -0.010684 -0.030382 -0.024780 0.062877 0.005756 -0.009089 0.035660 -0.010667 0.003679 0.002566 -0.003490 -0.007876 -0.003675 0.000523 0.007189 -0.067035 -0.169964 0.001196 -0.280989 0.141878 0.019525 -0.190540 -0.001064 -0.053166 0.031632 0.036907 0.033076 0.158716 0.189708 0.377440 -0.577163 0.182514 0.208183 -0.209663 -0.042712 -0.084096 0.117908 -0.133295 -0.098531 0.030665 -0.019597 -0.021719 -0.003004 0.006247 0.025138 0.064846 -0.044327 -0.063680 0.065237 -0.028393 0.001722 0.205664 0.016098 -0.030899 0.042063 -0.086906 -0.181790 0.094902 0.020209 0.032645 0.016017 0.005000 0.011022 -0.015011 -0.023525 0.013765 0.021868 0.065152 0.001795 -0.022247 -0.011016 -0.014605 -0.007746 -0.000773 -0.002073 -0.017146 0.367291 0.039936 0.218749 -0.118541 -0.063546 -0.347705 -0.059478 -0.050127 0.012777 -0.036066 0.002590 -0.064371 -0.246725 0.038703 -0.464754 -0.347713 -0.190796 0.158151 0.047562 0.056401 -0.089088 0.260525 0.140392 -0.163530 0.051649 0.060826 0.049152 0.020441 0.051058 0.109510 -0.006753 0.001355 0.033005 0.012331 0.010440 0.153303 0.082396 0.004135 0.057125 0.007706 -0.028557 0.039955 -0.030804 -0.039729 -0.009198 -0.025597 -0.031445 0.076345 0.016254 -0.017372 0.013895 -0.054979 0.004606 0.015785 0.006322 0.008152 0.001339 0.004753 0.004689 -0.032807 -0.138836 -0.078238 -0.158305 0.218818 -0.579748 -0.007872 0.043386 0.049074 -0.010388 0.026913 0.012669 0.073105 -0.373753 0.082204 0.133878 -0.339074 0.392325 -0.066245 0.018266 -0.042397 0.031936 0.168603 -0.151784 0.004652 0.026962 -0.027921 0.005174 -0.000453 0.082902 0.087033 0.023179 0.104912 -0.065010 0.029832 -0.013363 -0.070177 0.125430 -0.014463 0.025234 0.034334 0.009097 -0.015703 -0.013293 0.021425 0.007417 -0.014094 0.013743 -0.006429 -0.035988 0.006691 0.012146 0.059047 0.009055 -0.022888 0.002195 -0.001526 0.000508 0.002614 -0.001619 -0.005319 -0.496806 0.118456 -0.003933 0.479910 0.053384 0.011012 0.049762 0.020348 -0.017901 0.038977 -0.006295 0.032275 0.333669 -0.270135 -0.108265 -0.378623 -0.127998 0.054573 0.043081 0.037027 -0.056896 0.203446 0.180358 -0.067355 0.049959 0.028462 0.036660 -0.046284 -0.018931 -0.039407 -0.062208 -0.030462 0.037374 -0.032165 0.027591 0.070858 -0.071608 0.008712 -0.016477 -0.010832 0.059210 -0.006304 -0.026270 -0.051997 -0.020702 -0.018295 -0.026742 0.046981 0.063317 0.003277 -0.004585 -0.108038 -0.007614 0.037007 -0.020371 -0.023232 -0.017848 -0.002790 0.003046 -0.003332 -0.059382 0.063462 0.023457 0.030561 -0.003254 -0.018887 0.002342 -0.005206 -0.000146 0.003310 -0.003553 -0.003243 0.074551 -0.119874 -0.053178 -0.055674 -0.109602 -0.035207 0.007452 0.015510 -0.009062 0.012484 -0.022952 -0.040865 0.019133 0.032527 0.031752 -0.002986 0.005727 0.006916 -0.004014 0.000439 0.003033 -0.008095 0.012053 0.030665 -0.021355 0.007911 -0.002793 0.003308 0.028364 -0.003791 0.011868 0.033825 0.017963 0.000061 -0.002410 0.012093 -0.390962 -0.268642 -0.218511 0.399055 0.085105 -0.131562 0.357515 0.441807 0.321094 0.011874 0.007067 0.242920 -0.044335 0.042343 0.053347 0.021278 0.011708 0.026963 0.004279 0.001118 -0.005295 -0.000556 -0.006224 -0.019888 0.060292 -0.083978 -0.004814 -0.015722 -0.074417 0.135897 0.013891 0.033153 -0.052764 0.006484 0.016994 0.059237 -0.005561 -0.004698 -0.019039 -0.005727 -0.009505 -0.017813 0.001038 0.007708 -0.006771 -0.005039 0.006236 0.007774 -0.019622 0.005628 -0.005547 0.002614 0.022009 -0.005490 -0.005366 -0.015234 -0.013840 0.010058 0.017557 -0.042666 -0.238627 -0.019594 0.464978 0.456396 0.079848 -0.204664 -0.041926 -0.074176 -0.086217 0.054555 0.030594 -0.628714 0.045248 0.509919 0.194401 -0.135126 -0.366834 -0.073374 -0.035824 -0.097635 0.027384 -0.015892 -0.041778 -0.086570 0.185886 -0.492599 -0.186033 0.201561 0.274309 -0.002754 -0.027878 -0.042686 0.045687 -0.100351 -0.142374 0.039541 -0.039289 -0.040750 -0.040688 0.010734 0.048740 0.057729 0.034744 0.060609 -0.038593 -0.020413 0.044074 0.099431 -0.077111 0.040518 -0.008673 0.023953 0.104356 -0.016935 0.008229 0.028773 0.010793 0.008818 0.016900 -0.027051 0.022551 0.038065 -0.010710 -0.007939 -0.013496 0.006678 -0.027480 -0.035280 -0.020757 -0.003545 -0.007982 0.029992</matrix>
                  </module>
               </property>
               <property dictRef="cc:irspectrum">
                  <module cmlx:templateRef="irspectrum">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="54">6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59</array>
                     <array dataType="xsd:double" dictRef="cc:frequency" size="54">31.63 42.98 51.33 54.42 69.32 90.39 133.07 165.94 193.63 197.55 215.92 234.32 249.05 253.95 258.27 290.73 292.90 304.56 326.69 349.66 358.36 368.74 381.69 424.28 493.32 517.77 529.76 541.03 556.77 569.11 596.81 602.66 625.27 663.31 699.43 716.38 763.25 932.77 1040.73 1087.53 1102.14 1123.32 1136.86 1160.58 1163.48 1177.51 1186.27 1218.96 1220.54 1234.37 1280.87 1290.49 1294.73 1340.78</array>
                     <array dataType="xsd:double" dictRef="o:t2" size="54">0.001345 0.000475 0.000148 0.001146 0.000023 0.000586 0.000789 0.000071 0.000128 0.000450 0.000598 0.000030 0.000223 0.000012 0.000054 0.000300 0.000251 0.000040 0.000032 0.000156 0.000075 0.000055 0.000042 0.000070 0.000315 0.005781 0.000357 0.001661 0.003069 0.000794 0.001852 0.002711 0.019414 0.001409 0.004788 0.001323 0.000277 0.002444 0.006923 0.001256 0.002108 0.001571 0.009004 0.000542 0.002069 0.013037 0.006721 0.020774 0.005096 0.006210 0.002704 0.015240 0.016861 0.003168</array>
                     <matrix cols="3"
                             dataType="xsd:double"
                             dictRef="cc:displacement"
                             rows="54">-0.006066 0.010978 0.034457 0.005889 -0.001452 -0.020924 0.003975 -0.003647 -0.010910 -0.025639 -0.021638 -0.004517 0.000780 0.003955 0.002612 0.021816 0.010400 -0.001215 0.022311 -0.017050 -0.000545 0.004795 -0.005873 0.003649 0.007106 -0.000583 0.008798 -0.002403 0.001133 0.021052 0.004989 0.006847 -0.022947 -0.001354 -0.005307 -0.000051 0.014181 -0.004464 -0.001433 -0.001948 0.002737 -0.001084 0.006273 -0.003268 0.002022 -0.015953 0.005545 -0.003785 0.015136 -0.004635 -0.000073 0.006000 0.000903 -0.001907 0.002453 0.004973 -0.001319 0.003314 0.000203 0.012037 -0.002489 0.001775 0.008117 0.006795 -0.002954 0.000512 0.005275 -0.003724 0.000457 -0.002314 -0.008001 -0.000563 -0.002213 0.002171 0.017464 -0.074600 0.011303 0.009384 -0.003549 0.016848 -0.007767 -0.008193 -0.028644 -0.027801 0.024470 -0.045478 0.020041 0.012122 0.005826 0.024760 0.029810 -0.030977 -0.001828 -0.038544 0.033286 -0.010828 -0.086029 0.108812 -0.013157 0.012111 -0.030824 0.017669 0.056833 -0.038827 -0.007086 -0.035521 0.006501 0.004352 -0.016300 -0.001099 -0.003209 -0.043057 0.024141 0.002728 -0.039419 0.071504 -0.016015 -0.029093 -0.015052 -0.013527 -0.006030 -0.001623 -0.045481 0.029364 -0.015141 -0.021887 -0.015852 -0.085955 -0.036945 -0.011484 0.000031 0.020260 0.022919 0.031908 -0.022928 -0.078661 -0.077354 -0.029421 0.002470 -0.000232 -0.081945 0.016765 0.061777 -0.129138 -0.011196 -0.004163 -0.070379 -0.076408 -0.018117 -0.006587 0.048970 -0.004256 -0.016968 -0.081665 -0.072600 -0.057448 -0.046224 -0.011986 0.120749 0.045889 -0.031748 -0.007366</matrix>
                  </module>
               </property>
            </propertyList>
            <molecule id="molecule">
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="-1.874316"
                        y3="0.739552"
                        z3="-0.256511"/>
                  <atom elementType="C"
                        id="a2"
                        x3="-0.33179"
                        y3="0.7382"
                        z3="0.015034"/>
                  <atom elementType="F"
                        id="a3"
                        x3="-2.474244"
                        y3="-0.275969"
                        z3="0.397275"/>
                  <atom elementType="F"
                        id="a4"
                        x3="-2.09898"
                        y3="0.599027"
                        z3="-1.578794"/>
                  <atom elementType="C"
                        id="a5"
                        x3="-2.603659"
                        y3="2.047858"
                        z3="0.186775"/>
                  <atom elementType="C"
                        id="a6"
                        x3="0.319498"
                        y3="-0.689509"
                        z3="-0.032764"/>
                  <atom elementType="F"
                        id="a7"
                        x3="-0.031194"
                        y3="-1.310811"
                        z3="1.10938"/>
                  <atom elementType="C"
                        id="a8"
                        x3="1.868187"
                        y3="-0.676073"
                        z3="-0.200119"/>
                  <atom elementType="F"
                        id="a9"
                        x3="-0.243361"
                        y3="-1.345946"
                        z3="-1.073887"/>
                  <atom elementType="F"
                        id="a10"
                        x3="-0.131875"
                        y3="1.285829"
                        z3="1.235339"/>
                  <atom elementType="F"
                        id="a11"
                        x3="0.229765"
                        y3="1.545762"
                        z3="-0.910028"/>
                  <atom elementType="F"
                        id="a12"
                        x3="-2.672505"
                        y3="2.147777"
                        z3="1.515061"/>
                  <atom elementType="F"
                        id="a13"
                        x3="-3.858236"
                        y3="2.028063"
                        z3="-0.290057"/>
                  <atom elementType="F"
                        id="a14"
                        x3="-1.992246"
                        y3="3.133445"
                        z3="-0.296784"/>
                  <atom elementType="F"
                        id="a15"
                        x3="2.356135"
                        y3="0.330772"
                        z3="0.58071"/>
                  <atom elementType="F"
                        id="a16"
                        x3="2.122703"
                        y3="-0.340763"
                        z3="-1.492567"/>
                  <atom elementType="S"
                        id="a17"
                        x3="2.745248"
                        y3="-2.294276"
                        z3="0.224533"/>
                  <atom elementType="O"
                        id="a18"
                        x3="4.07347"
                        y3="-2.041812"
                        z3="-0.3016"/>
                  <atom elementType="O"
                        id="a19"
                        x3="1.953708"
                        y3="-3.271929"
                        z3="-0.501338"/>
                  <atom elementType="O"
                        id="a20"
                        x3="2.643672"
                        y3="-2.349164"
                        z3="1.670372"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a10" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a5 a13" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a8 a15" order="S"/>
                  <bond atomRefs2="a8 a16" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
               </bondArray>
               <formula concise="C5F11O3S">
                  <atomArray count="5 11 3 1" elementType="C F O S"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">349.0991351999998</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/C5F11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:2,1,6,5,8,10,11,3,4,7,9,12,13,14,15,16,18,19,20,17/E:(6,7)(8,9)(10,11)(12,13,14)(15,16)(17,18,19)/CRV:17.1,18.1,19.1/rA:20nCCFFCCFCFFFFFFFFSO1O1O1/rB:s1;s1;s1;s1;s2;s6;s6;s6;s2;s2;s5;s5;s5;s8;s8;s8;s17;s17;s17;/rC:-1.8743,.7396,-.2565;-.3318,.7382,.015;-2.4742,-.276,.3973;-2.099,.599,-1.5788;-2.6037,2.0479,.1868;.3195,-.6895,-.0328;-.0312,-1.3108,1.1094;1.8682,-.6761,-.2001;-.2434,-1.3459,-1.0739;-.1319,1.2858,1.2353;.2298,1.5458,-.91;-2.6725,2.1478,1.5151;-3.8582,2.0281,-.2901;-1.9922,3.1334,-.2968;2.3561,.3308,.5807;2.1227,-.3408,-1.4926;2.7452,-2.2943,.2245;4.0735,-2.0418,-.3016;1.9537,-3.2719,-.5013;2.6437,-2.3492,1.6704;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="totalenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:totalener" units="nonsi:hartree">-1912.76494868670852</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:nucrepener" units="nonsi:hartree">2231.94170197435824</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:electener" units="nonsi:hartree">-4144.70664619193303</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:oneelecener"
                          units="nonsi:hartree">-7121.93482560126176</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:twoeener" units="nonsi:hartree">2977.22817940932919</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-3819.36639849797166</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:kineticenergy"
                          units="nonsi:hartree">1906.60144981126314</scalar>
                  <scalar dataType="xsd:double" dictRef="o:vircoeff">2.00323271487917</scalar>
                  <list id="dftcomponents">
                     <scalar dataType="xsd:double" dictRef="cc:alphae">84.999993292096</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:betae">84.999993292096</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:totale">169.999986584193</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:exchangeener"
                             units="nonsi:hartree">-148.664108806009</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:correlationener"
                             units="nonsi:hartree">-7.569323153197</scalar>
                     <scalar dataType="xsd:double" dictRef="o:xcener" units="nonsi:hartree">-156.233431959206</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="spincontamination" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:s2">-0.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:sideal">0.0</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2ideal">0.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2deviation">-0.000000</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.037506982</scalar>
               </module>
               <module cmlx:templateRef="thermochemistry" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.00</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:totalmass">349.09</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1912.70957915</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1912.70863494</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.02648936</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01605549</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02064181</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.06318666</scalar>
               </module>
               <module cmlx:templateRef="gibbs" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1912.70863494</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalentropycorr"
                          units="nonsi:hartree">-0.06318666</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsenthalpy"
                          units="nonsi:hartree">-1912.77182160</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsminuselec"
                          units="nonsi:hartree">0.03063407</scalar>
               </module>
               <module cmlx:templateRef="spincontamination" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:s2">-0.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:sideal">0.0</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2ideal">0.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2deviation">-0.000000</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.037758220</scalar>
               </module>
               <module cmlx:templateRef="spincontamination" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:s2">0.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:sideal">0.0</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2ideal">0.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2deviation">0.000000</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.037745094</scalar>
               </module>
               <module cmlx:templateRef="spincontamination" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:s2">0.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:sideal">0.0</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2ideal">0.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2deviation">0.000000</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.037742555</scalar>
               </module>
               <module cmlx:templateRef="spincontamination" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:s2">-0.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:sideal">0.0</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2ideal">0.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2deviation">-0.000000</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.037734558</scalar>
               </module>
               <module cmlx:templateRef="spincontamination" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:s2">-0.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:sideal">0.0</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2ideal">0.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2deviation">-0.000000</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.037733231</scalar>
               </module>
               <module cmlx:templateRef="spincontamination" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:s2">0.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:sideal">0.0</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2ideal">0.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2deviation">0.000000</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.037733843</scalar>
               </module>
               <module cmlx:templateRef="spincontamination" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:s2">0.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:sideal">0.0</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2ideal">0.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2deviation">0.000000</scalar>
               </module>
               <module cmlx:templateRef="orbitalenergies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="orbital">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="96">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="96">1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="96"
                            units="nonsi:electronvolt">-2418.6200 -671.1803 -671.1422 -671.1374 -670.7700 -670.7449 -670.3551 -670.3391 -669.6211 -669.5577 -668.9209 -668.8716 -515.5180 -515.5072 -515.4876 -282.3992 -280.6200 -280.1755 -279.4718 -278.3806 -215.6511 -160.2840 -160.1840 -160.1827 -34.6137 -33.3230 -32.8166 -32.1987 -32.0918 -32.0744 -31.6329 -31.2430 -31.1585 -30.4653 -29.6340 -26.2362 -22.5795 -22.5652 -20.2016 -18.9737 -17.6601 -16.5549 -15.4367 -15.1023 -15.0570 -14.9369 -14.1910 -14.1095 -13.6583 -13.4269 -12.8827 -12.7947 -12.4502 -11.8268 -11.6052 -11.5710 -11.4387 -11.0320 -10.8127 -10.5729 -10.4920 -10.3313 -10.3130 -10.0287 -9.9162 -9.8410 -9.7103 -9.4718 -9.4301 -9.2103 -8.8535 -8.6938 -8.6163 -8.4150 -8.0632 -8.0274 -7.9136 -7.8247 -6.6947 -5.1813 -5.1668 -4.3337 -4.2783 -3.9290 -2.9305 2.9422 3.1408 4.5530 4.8156 5.1606 5.9324 6.2600 6.4783 6.6917 6.9508 7.1619</array>
                     <scalar dataType="xsd:string" dictRef="o:spin">UP</scalar>
                  </list>
                  <list cmlx:templateRef="orbital">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="96">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="96">1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="96"
                            units="nonsi:electronvolt">-2418.6200 -671.1803 -671.1422 -671.1374 -670.7700 -670.7449 -670.3551 -670.3391 -669.6211 -669.5577 -668.9209 -668.8716 -515.5180 -515.5072 -515.4876 -282.3992 -280.6200 -280.1755 -279.4718 -278.3806 -215.6511 -160.2840 -160.1840 -160.1827 -34.6137 -33.3230 -32.8166 -32.1987 -32.0918 -32.0744 -31.6329 -31.2430 -31.1585 -30.4653 -29.6340 -26.2362 -22.5795 -22.5652 -20.2016 -18.9737 -17.6601 -16.5549 -15.4367 -15.1023 -15.0570 -14.9369 -14.1910 -14.1095 -13.6583 -13.4269 -12.8827 -12.7947 -12.4502 -11.8268 -11.6052 -11.5710 -11.4387 -11.0320 -10.8127 -10.5729 -10.4920 -10.3313 -10.3130 -10.0287 -9.9162 -9.8410 -9.7103 -9.4718 -9.4301 -9.2103 -8.8535 -8.6938 -8.6163 -8.4150 -8.0632 -8.0274 -7.9136 -7.8247 -6.6947 -5.1813 -5.1668 -4.3337 -4.2783 -3.9290 -2.9305 2.9422 3.1408 4.5530 4.8156 5.1606 5.9324 6.2600 6.4783 6.6917 6.9508 7.1619</array>
                     <scalar dataType="xsd:string" dictRef="o:spin">DOWN</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="mullikenpopulation" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="atomicchargesspin">
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-1.0000000</scalar>
                     <scalar dataType="xsd:double" dictRef="x:spinsum">-0.0000000</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="20">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="20">C C F F C C F C F F F F F F F F S O O O</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="20">0.315485 0.296027 -0.167111 -0.168743 0.455525 0.332816 -0.170364 0.248766 -0.180293 -0.177743 -0.176340 -0.155232 -0.166468 -0.159477 -0.202217 -0.197964 0.821690 -0.516126 -0.517881 -0.514350</array>
                     <array dataType="xsd:double" dictRef="x:spin" size="20">0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000</array>
                  </module>
               </module>
               <module cmlx:templateRef="loewdin" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="20">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="20">C C F F C C F C F F F F F F F F S O O O</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="20">-0.465997 -0.455612 0.220142 0.215836 -0.661481 -0.488063 0.220661 -0.576426 0.209290 0.211324 0.215230 0.220799 0.205139 0.218327 0.160899 0.166685 0.414555 -0.341003 -0.345991 -0.344315</array>
                  <array dataType="xsd:double" dictRef="x:spin" size="20">0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000</array>
               </module>
               <module cmlx:templateRef="mayer" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="20">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="20">C C F F C C F C F F F F F F F F S O O O</array>
                     <array dataType="xsd:double" dictRef="o:na" size="20">5.6845 5.7040 9.1671 9.1687 5.5445 5.6672 9.1704 5.7512 9.1803 9.1777 9.1763 9.1552 9.1665 9.1595 9.2022 9.1980 15.1783 8.5161 8.5179 8.5144</array>
                     <array dataType="xsd:double" dictRef="o:za" size="20">6.0000 6.0000 9.0000 9.0000 6.0000 6.0000 9.0000 6.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 16.0000 8.0000 8.0000 8.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="20">0.3155 0.2960 -0.1671 -0.1687 0.4555 0.3328 -0.1704 0.2488 -0.1803 -0.1777 -0.1763 -0.1552 -0.1665 -0.1595 -0.2022 -0.1980 0.8217 -0.5161 -0.5179 -0.5144</array>
                     <array dataType="xsd:double" dictRef="o:va" size="20">4.1725 4.1132 1.1495 1.1421 4.5331 4.0792 1.1490 4.0401 1.1299 1.1321 1.1400 1.1591 1.1444 1.1543 1.0856 1.0924 6.2187 1.9456 1.9151 1.9181</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="20">4.1725 4.1132 1.1495 1.1421 4.5331 4.0792 1.1490 4.0401 1.1299 1.1321 1.1400 1.1591 1.1444 1.1543 1.0856 1.0924 6.2187 1.9456 1.9151 1.9181</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="20">0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000</array>
                  </module>
                  <module cmlx:templateRef="bonds">
                     <array dataType="xsd:double" dictRef="x:distance" size="19">0.9168 1.0944 1.0926 0.9665 0.9087 1.0743 1.0804 1.1619 1.1367 1.1506 1.0833 0.9237 1.0556 1.0298 1.0398 0.7876 1.8069 1.7856 1.8040</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="19">0 1 0 2 0 3 0 4 1 5 1 9 1 10 4 11 4 12 4 13 5 6 5 7 5 8 7 14 7 15 7 16 16 17 16 18 16 19</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.037733744</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1912.805857909398</scalar>
               </module>
               <module cmlx:templateRef="electricproperties" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="9">9.018066278 -13.176699238 -4.158632960 -7.914878733 11.392363129 3.477484397 0.819840611 -1.113665009 -0.293824398</array>
                  <scalar dataType="xsd:string" dictRef="o:dipolemethod">SCF</scalar>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:au">5.428946362</scalar>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:debye">13.799285004</scalar>
               </module>
               <module cmlx:templateRef="thermochemistry" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.00</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:totalmass">349.09</scalar>
               </module>
               <module cmlx:templateRef="innerenergy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="contributions">
                     <scalar dataType="xsd:double" dictRef="o:electronic" units="nonsi:hartree">-1912.80585791</scalar>
                     <scalar dataType="xsd:double" dictRef="o:zeropoint" units="nonsi:hartree">0.07564919</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermalvibcorrection"
                             units="nonsi:hartree">0.01562153</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermalrotcorrection"
                             units="nonsi:hartree">0.00141627</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermaltrasncorrection"
                             units="nonsi:hartree">0.00141627</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermaltotal"
                             units="nonsi:hartree">-1912.71175465</scalar>
                  </module>
                  <module cmlx:templateRef="corrections">
                     <scalar dataType="xsd:double" dictRef="o:thermalcorr" units="nonsi:hartree">0.01845407</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:nonthermalcorr"
                             units="nonsi:hartree">0.07564919</scalar>
                     <scalar dataType="xsd:double" dictRef="o:totalcorr" units="nonsi:hartree">0.09410326</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1912.71175465</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1912.71081044</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.02751056</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01604254</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02064181</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.06419491</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
