<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:o="http://www.iochem-bd.org/dictionary/orca/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="orca.log">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Orca</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string" id="copy.0">5.0.4</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 11s6p2d1f 5s2p1d</array>
                     <array dataType="xsd:string" dictRef="o:contraction" size="4">5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d</array>
                  </list>
                  <list dictRef="atombasis">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="21">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="21">O O O O O O N N N N N N C C C H H H H H H</array>
                     <array dataType="xsd:integer" dictRef="o:group" size="21">1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 4 4 4 4 4 4</array>
                  </list>
               </module>
            </parameterList>
            <molecule id="molecule">
               <atomArray>
                  <atom elementType="O"
                        id="a1"
                        x3="0.383053"
                        y3="0.06692"
                        z3="-0.324422"/>
                  <atom elementType="O"
                        id="a2"
                        x3="5.002782"
                        y3="0.226314"
                        z3="-0.15195"/>
                  <atom elementType="O"
                        id="a3"
                        x3="4.445828"
                        y3="3.372787"
                        z3="-0.326567"/>
                  <atom elementType="O"
                        id="a4"
                        x3="0.01238"
                        y3="2.191854"
                        z3="-0.362734"/>
                  <atom elementType="O"
                        id="a5"
                        x3="3.334634"
                        y3="-1.143651"
                        z3="-0.132221"/>
                  <atom elementType="O"
                        id="a6"
                        x3="2.444305"
                        y3="4.177556"
                        z3="-0.355958"/>
                  <atom elementType="N"
                        id="a7"
                        x3="1.176615"
                        y3="1.331408"
                        z3="1.31766"/>
                  <atom elementType="N"
                        id="a8"
                        x3="3.418119"
                        y3="0.476502"
                        z3="1.372453"/>
                  <atom elementType="N"
                        id="a9"
                        x3="3.046194"
                        y3="2.847017"
                        z3="1.312807"/>
                  <atom elementType="N"
                        id="a10"
                        x3="0.500414"
                        y3="1.190989"
                        z3="0.118312"/>
                  <atom elementType="N"
                        id="a11"
                        x3="3.940568"
                        y3="-0.174851"
                        z3="0.278587"/>
                  <atom elementType="N"
                        id="a12"
                        x3="3.32242"
                        y3="3.488139"
                        z3="0.11849"/>
                  <atom elementType="C"
                        id="a13"
                        x3="2.034707"
                        y3="0.239717"
                        z3="1.763347"/>
                  <atom elementType="C"
                        id="a14"
                        x3="1.652329"
                        y3="2.656745"
                        z3="1.7034"/>
                  <atom elementType="C"
                        id="a15"
                        x3="3.938678"
                        y3="1.782128"
                        z3="1.755417"/>
                  <atom elementType="H"
                        id="a16"
                        x3="1.687952"
                        y3="-0.703532"
                        z3="1.365543"/>
                  <atom elementType="H"
                        id="a17"
                        x3="2.027389"
                        y3="0.257829"
                        z3="2.854488"/>
                  <atom elementType="H"
                        id="a18"
                        x3="1.630647"
                        y3="2.684903"
                        z3="2.797043"/>
                  <atom elementType="H"
                        id="a19"
                        x3="1.029883"
                        y3="3.423636"
                        z3="1.264627"/>
                  <atom elementType="H"
                        id="a20"
                        x3="3.929167"
                        y3="1.795496"
                        z3="2.846704"/>
                  <atom elementType="H"
                        id="a21"
                        x3="4.930761"
                        y3="1.924993"
                        z3="1.350951"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a10" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a3 a12" order="S"/>
                  <bond atomRefs2="a4 a10" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a7 a14" order="S"/>
                  <bond atomRefs2="a7 a13" order="S"/>
                  <bond atomRefs2="a7 a10" order="S"/>
                  <bond atomRefs2="a8 a13" order="S"/>
                  <bond atomRefs2="a8 a15" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a9 a14" order="S"/>
                  <bond atomRefs2="a9 a15" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
               </bondArray>
               <formula concise="C3H6N6O6">
                  <atomArray count="3 6 6 6" elementType="C H N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">216.06869999999992</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,7,8,9,10,11,12,1,4,2,5,3,6/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12,13,14,15)/CRV:10.1,11.1,12.1,13.1,14.1,15.1/rA:21O1O1O1O1O1O1NNNNNNCCCHHHHHH/rB:;;;;;;;;s1s4s7;s2s5s8;s3s6s9;s7s8;s7s9;s8s9;s13;s13;s14;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;</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">WB97X-V</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Correlation</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">WB97X-V</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">0.167000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000000</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">Density functional embedding theory</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">OFF</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Amount of maximum screened exact exchange</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.833000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Range separation parameter mu (erf(mu*r12)/r12)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.300000</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">801</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">RDX_neut_C0_OptFreq</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">HFTyp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">RHF</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Charge</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Mult</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NEL</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">114</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">549</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1172.0039634837 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">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">20</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">16</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 I  (grad. norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.000e-06</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold II (energy diff.)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-09</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">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NR start threshold (gradient norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.001</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">Orbital update algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Taylor</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">Quad. conv. algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">NR</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">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>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVRico</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</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 cmlx:templateRef="section" name="Diagonalization of the overlap matrix">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Smallest eigenvalue</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.720e-04</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.052 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Threshold for overlap eigenvalues</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of eigenvalues below threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for construction of square roots</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.028 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.083 sec</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">WB97X-V</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Correlation</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">WB97X-V</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">0.167000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000000</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">Density functional embedding theory</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">OFF</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Amount of maximum screened exact exchange</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.833000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Range separation parameter mu (erf(mu*r12)/r12)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.300000</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">801</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">RDX_neut_C0_OptFreq</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">HFTyp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">RHF</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Charge</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Mult</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NEL</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">114</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">549</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1171.9723646385 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">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">16</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 I  (grad. norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.000e-06</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold II (energy diff.)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-09</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">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NR start threshold (gradient norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.001</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">Orbital update algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Taylor</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">Quad. conv. algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">NR</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">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>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVRico</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</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 cmlx:templateRef="section" name="Diagonalization of the overlap matrix">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Smallest eigenvalue</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.839e-04</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.052 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Threshold for overlap eigenvalues</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of eigenvalues below threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for construction of square roots</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.029 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.083 sec</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="input" id="initialization">
                  <module cmlx:templateRef="job">
                     <molecule id="initial">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="0.383053"
                                 y3="0.06692"
                                 z3="-0.324422">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a2"
                                 x3="5.002782"
                                 y3="0.226314"
                                 z3="-0.15195">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a3"
                                 x3="4.445828"
                                 y3="3.372787"
                                 z3="-0.326567">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.01238"
                                 y3="2.191854"
                                 z3="-0.362734">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a5"
                                 x3="3.334634"
                                 y3="-1.143651"
                                 z3="-0.132221">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.444305"
                                 y3="4.177556"
                                 z3="-0.355958">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="N"
                                 id="a7"
                                 x3="1.176615"
                                 y3="1.331408"
                                 z3="1.31766">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                           </atom>
                           <atom elementType="N"
                                 id="a8"
                                 x3="3.418119"
                                 y3="0.476502"
                                 z3="1.372453">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                           </atom>
                           <atom elementType="N"
                                 id="a9"
                                 x3="3.046194"
                                 y3="2.847017"
                                 z3="1.312807">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                           </atom>
                           <atom elementType="N"
                                 id="a10"
                                 x3="0.500414"
                                 y3="1.190989"
                                 z3="0.118312">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                           </atom>
                           <atom elementType="N"
                                 id="a11"
                                 x3="3.940568"
                                 y3="-0.174851"
                                 z3="0.278587">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                           </atom>
                           <atom elementType="N"
                                 id="a12"
                                 x3="3.32242"
                                 y3="3.488139"
                                 z3="0.11849">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a13"
                                 x3="2.034707"
                                 y3="0.239717"
                                 z3="1.763347">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="1.652329"
                                 y3="2.656745"
                                 z3="1.7034">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="3.938678"
                                 y3="1.782128"
                                 z3="1.755417">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="1.687952"
                                 y3="-0.703532"
                                 z3="1.365543">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="2.027389"
                                 y3="0.257829"
                                 z3="2.854488">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="1.630647"
                                 y3="2.684903"
                                 z3="2.797043">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="1.029883"
                                 y3="3.423636"
                                 z3="1.264627">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="3.929167"
                                 y3="1.795496"
                                 z3="2.846704">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="4.930761"
                                 y3="1.924993"
                                 z3="1.350951">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a12" order="S"/>
                           <bond atomRefs2="a4 a10" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a6 a12" order="S"/>
                           <bond atomRefs2="a7 a14" order="S"/>
                           <bond atomRefs2="a7 a13" order="S"/>
                           <bond atomRefs2="a7 a10" order="S"/>
                           <bond atomRefs2="a8 a13" order="S"/>
                           <bond atomRefs2="a8 a15" order="S"/>
                           <bond atomRefs2="a8 a11" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a15" order="S"/>
                           <bond atomRefs2="a9 a12" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a14 a18" order="S"/>
                           <bond atomRefs2="a14 a19" order="S"/>
                           <bond atomRefs2="a15 a20" order="S"/>
                           <bond atomRefs2="a15 a21" order="S"/>
                        </bondArray>
                        <formula concise="C3H6N6O6">
                           <atomArray count="3 6 6 6" elementType="C H N O"/>
                        </formula>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">216.06869999999992</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,7,8,9,10,11,12,1,4,2,5,3,6/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12,13,14,15)/CRV:10.1,11.1,12.1,13.1,14.1,15.1/rA:21O1O1O1O1O1O1NNNNNNCCCHHHHHH/rB:;;;;;;;;s1s4s7;s2s5s8;s3s6s9;s7s8;s7s9;s8s9;s13;s13;s14;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                     <scalar dataType="xsd:integer" dictRef="o:charge">0</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:multiplicity">1</scalar>
                     <array dataType="xsd:string" dictRef="cc:keywords" size="7">wB97X-D3BJ Opt Freq def2-TZVPP def2/J RIJCOSX VeryTightSCF</array>
                     <array dataType="xsd:string" dictRef="cc:keywords" size="3">PAL8 TightOpt defgrid3</array>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">maxcore</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters">4096</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter"/>
                     </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">MaxIter 400</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter"># Step qn</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter"># MaxStep 0.1</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">Calc_Hess true</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter"># Recalc_Hess 2</scalar>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">method</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"/>
                        <scalar dataType="xsd:string" dictRef="o:parameter">Z_tol 1e-12</scalar>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">chelpg</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"/>
                        <scalar dataType="xsd:string" dictRef="o:parameter">grid 0.1</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">rmax 3.0</scalar>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">elprop</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"/>
                        <scalar dataType="xsd:string" dictRef="o:parameter">Dipole true</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">Quadrupole true</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">Polar 1</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="O"
                              id="a1"
                              x3="0.395837"
                              y3="0.067616"
                              z3="-0.317964"/>
                        <atom elementType="O"
                              id="a2"
                              x3="4.989169"
                              y3="0.241963"
                              z3="-0.152297"/>
                        <atom elementType="O"
                              id="a3"
                              x3="4.442521"
                              y3="3.362757"
                              z3="-0.319179"/>
                        <atom elementType="O"
                              id="a4"
                              x3="0.025157"
                              y3="2.193634"
                              z3="-0.354585"/>
                        <atom elementType="O"
                              id="a5"
                              x3="3.321625"
                              y3="-1.129295"
                              z3="-0.131151"/>
                        <atom elementType="O"
                              id="a6"
                              x3="2.440009"
                              y3="4.167928"
                              z3="-0.346092"/>
                        <atom elementType="N"
                              id="a7"
                              x3="1.173838"
                              y3="1.328307"
                              z3="1.338565"/>
                        <atom elementType="N"
                              id="a8"
                              x3="3.424386"
                              y3="0.468395"
                              z3="1.403325"/>
                        <atom elementType="N"
                              id="a9"
                              x3="3.049177"
                              y3="2.848242"
                              z3="1.33306"/>
                        <atom elementType="N"
                              id="a10"
                              x3="0.499149"
                              y3="1.188924"
                              z3="0.116789"/>
                        <atom elementType="N"
                              id="a11"
                              x3="3.939215"
                              y3="-0.174402"
                              z3="0.274453"/>
                        <atom elementType="N"
                              id="a12"
                              x3="3.324599"
                              y3="3.490666"
                              z3="0.117852"/>
                        <atom elementType="C"
                              id="a13"
                              x3="2.03618"
                              y3="0.236709"
                              z3="1.762888"/>
                        <atom elementType="C"
                              id="a14"
                              x3="1.654596"
                              y3="2.65356"
                              z3="1.697357"/>
                        <atom elementType="C"
                              id="a15"
                              x3="3.941045"
                              y3="1.779812"
                              z3="1.754221"/>
                        <atom elementType="H"
                              id="a16"
                              x3="1.692261"
                              y3="-0.700114"
                              z3="1.343546"/>
                        <atom elementType="H"
                              id="a17"
                              x3="1.989143"
                              y3="0.205551"
                              z3="2.852362"/>
                        <atom elementType="H"
                              id="a18"
                              x3="1.5991"
                              y3="2.724672"
                              z3="2.784383"/>
                        <atom elementType="H"
                              id="a19"
                              x3="1.036932"
                              y3="3.414577"
                              z3="1.237943"/>
                        <atom elementType="H"
                              id="a20"
                              x3="3.98923"
                              y3="1.82221"
                              z3="2.843346"/>
                        <atom elementType="H"
                              id="a21"
                              x3="4.925656"
                              y3="1.921187"
                              z3="1.327156"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a10" order="S"/>
                        <bond atomRefs2="a2 a11" order="S"/>
                        <bond atomRefs2="a3 a12" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a10" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a8 a15" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a9 a14" order="S"/>
                        <bond atomRefs2="a9 a15" order="S"/>
                        <bond atomRefs2="a9 a12" order="S"/>
                        <bond atomRefs2="a13 a17" order="S"/>
                        <bond atomRefs2="a13 a16" order="S"/>
                        <bond atomRefs2="a14 a18" order="S"/>
                        <bond atomRefs2="a14 a19" order="S"/>
                        <bond atomRefs2="a15 a20" order="S"/>
                        <bond atomRefs2="a15 a21" order="S"/>
                     </bondArray>
                     <formula concise="C3H6N6O6">
                        <atomArray count="3 6 6 6" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.06869999999992</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,7,8,9,10,11,12,1,4,2,5,3,6/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12,13,14,15)/CRV:10.1,11.1,12.1,13.1,14.1,15.1/rA:21O1O1O1O1O1O1NNNNNNCCCHHHHHH/rB:;;;;;;;;s1s4s7;s2s5s8;s3s6s9;s7s8;s7s9;s8s9;s13;s13;s14;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="0.370134"
                              y3="0.039905"
                              z3="-0.288533"/>
                        <atom elementType="O"
                              id="a2"
                              x3="4.960167"
                              y3="0.270963"
                              z3="-0.177199"/>
                        <atom elementType="O"
                              id="a3"
                              x3="4.47417"
                              y3="3.391171"
                              z3="-0.286637"/>
                        <atom elementType="O"
                              id="a4"
                              x3="0.023097"
                              y3="2.169206"
                              z3="-0.359511"/>
                        <atom elementType="O"
                              id="a5"
                              x3="3.296459"
                              y3="-1.104054"
                              z3="-0.149166"/>
                        <atom elementType="O"
                              id="a6"
                              x3="2.464508"
                              y3="4.177428"
                              z3="-0.34207"/>
                        <atom elementType="N"
                              id="a7"
                              x3="1.178632"
                              y3="1.320955"
                              z3="1.340119"/>
                        <atom elementType="N"
                              id="a8"
                              x3="3.434047"
                              y3="0.454854"
                              z3="1.429274"/>
                        <atom elementType="N"
                              id="a9"
                              x3="3.053476"
                              y3="2.840056"
                              z3="1.332215"/>
                        <atom elementType="N"
                              id="a10"
                              x3="0.489433"
                              y3="1.167177"
                              z3="0.125629"/>
                        <atom elementType="N"
                              id="a11"
                              x3="3.921716"
                              y3="-0.15798"
                              z3="0.263721"/>
                        <atom elementType="N"
                              id="a12"
                              x3="3.347136"
                              y3="3.503133"
                              z3="0.130551"/>
                        <atom elementType="C"
                              id="a13"
                              x3="2.038882"
                              y3="0.231505"
                              z3="1.772193"/>
                        <atom elementType="C"
                              id="a14"
                              x3="1.655686"
                              y3="2.650913"
                              z3="1.6803"/>
                        <atom elementType="C"
                              id="a15"
                              x3="3.945241"
                              y3="1.775137"
                              z3="1.759643"/>
                        <atom elementType="H"
                              id="a16"
                              x3="1.697276"
                              y3="-0.703505"
                              z3="1.346766"/>
                        <atom elementType="H"
                              id="a17"
                              x3="1.979246"
                              y3="0.191074"
                              z3="2.860959"/>
                        <atom elementType="H"
                              id="a18"
                              x3="1.578166"
                              y3="2.750065"
                              z3="2.764154"/>
                        <atom elementType="H"
                              id="a19"
                              x3="1.046074"
                              y3="3.401624"
                              z3="1.193632"/>
                        <atom elementType="H"
                              id="a20"
                              x3="4.009521"
                              y3="1.829159"
                              z3="2.847674"/>
                        <atom elementType="H"
                              id="a21"
                              x3="4.925757"
                              y3="1.914113"
                              z3="1.322263"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a10" order="S"/>
                        <bond atomRefs2="a2 a11" order="S"/>
                        <bond atomRefs2="a3 a12" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a10" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a8 a15" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a9 a15" order="S"/>
                        <bond atomRefs2="a9 a14" order="S"/>
                        <bond atomRefs2="a9 a12" order="S"/>
                        <bond atomRefs2="a13 a17" order="S"/>
                        <bond atomRefs2="a13 a16" order="S"/>
                        <bond atomRefs2="a14 a18" order="S"/>
                        <bond atomRefs2="a14 a19" order="S"/>
                        <bond atomRefs2="a15 a20" order="S"/>
                        <bond atomRefs2="a15 a21" order="S"/>
                     </bondArray>
                     <formula concise="C3H6N6O6">
                        <atomArray count="3 6 6 6" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.06869999999992</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,7,8,9,10,11,12,1,4,2,5,3,6/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12,13,14,15)/CRV:10.1,11.1,12.1,13.1,14.1,15.1/rA:21O1O1O1O1O1O1NNNNNNCCCHHHHHH/rB:;;;;;;;;s1s4s7;s2s5s8;s3s6s9;s7s8;s7s9;s8s9;s13;s13;s14;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="0.370077"
                              y3="0.04988"
                              z3="-0.292753"/>
                        <atom elementType="O"
                              id="a2"
                              x3="4.979258"
                              y3="0.247147"
                              z3="-0.162103"/>
                        <atom elementType="O"
                              id="a3"
                              x3="4.464471"
                              y3="3.393434"
                              z3="-0.290417"/>
                        <atom elementType="O"
                              id="a4"
                              x3="0.019029"
                              y3="2.178687"
                              z3="-0.354238"/>
                        <atom elementType="O"
                              id="a5"
                              x3="3.315999"
                              y3="-1.128712"
                              z3="-0.131755"/>
                        <atom elementType="O"
                              id="a6"
                              x3="2.456337"
                              y3="4.183874"
                              z3="-0.335886"/>
                        <atom elementType="N"
                              id="a7"
                              x3="1.173513"
                              y3="1.324177"
                              z3="1.344699"/>
                        <atom elementType="N"
                              id="a8"
                              x3="3.427929"
                              y3="0.462315"
                              z3="1.416331"/>
                        <atom elementType="N"
                              id="a9"
                              x3="3.05141"
                              y3="2.845849"
                              z3="1.33733"/>
                        <atom elementType="N"
                              id="a10"
                              x3="0.486866"
                              y3="1.175571"
                              z3="0.12653"/>
                        <atom elementType="N"
                              id="a11"
                              x3="3.935874"
                              y3="-0.175633"
                              z3="0.273611"/>
                        <atom elementType="N"
                              id="a12"
                              x3="3.339522"
                              y3="3.507427"
                              z3="0.131947"/>
                        <atom elementType="C"
                              id="a13"
                              x3="2.036348"
                              y3="0.232376"
                              z3="1.765063"/>
                        <atom elementType="C"
                              id="a14"
                              x3="1.653121"
                              y3="2.653928"
                              z3="1.685215"/>
                        <atom elementType="C"
                              id="a15"
                              x3="3.945026"
                              y3="1.777714"
                              z3="1.75246"/>
                        <atom elementType="H"
                              id="a16"
                              x3="1.69533"
                              y3="-0.699456"
                              z3="1.332161"/>
                        <atom elementType="H"
                              id="a17"
                              x3="1.978755"
                              y3="0.180674"
                              z3="2.853666"/>
                        <atom elementType="H"
                              id="a18"
                              x3="1.573506"
                              y3="2.755255"
                              z3="2.768781"/>
                        <atom elementType="H"
                              id="a19"
                              x3="1.04373"
                              y3="3.404445"
                              z3="1.198031"/>
                        <atom elementType="H"
                              id="a20"
                              x3="4.020768"
                              y3="1.8271"
                              z3="2.840199"/>
                        <atom elementType="H"
                              id="a21"
                              x3="4.921954"
                              y3="1.916848"
                              z3="1.307104"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a10" order="S"/>
                        <bond atomRefs2="a2 a11" order="S"/>
                        <bond atomRefs2="a3 a12" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a10" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a8 a15" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a9 a14" order="S"/>
                        <bond atomRefs2="a9 a15" order="S"/>
                        <bond atomRefs2="a9 a12" order="S"/>
                        <bond atomRefs2="a13 a17" order="S"/>
                        <bond atomRefs2="a13 a16" order="S"/>
                        <bond atomRefs2="a14 a18" order="S"/>
                        <bond atomRefs2="a14 a19" order="S"/>
                        <bond atomRefs2="a15 a20" order="S"/>
                        <bond atomRefs2="a15 a21" order="S"/>
                     </bondArray>
                     <formula concise="C3H6N6O6">
                        <atomArray count="3 6 6 6" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.06869999999992</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,7,8,9,10,11,12,1,4,2,5,3,6/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12,13,14,15)/CRV:10.1,11.1,12.1,13.1,14.1,15.1/rA:21O1O1O1O1O1O1NNNNNNCCCHHHHHH/rB:;;;;;;;;s1s4s7;s2s5s8;s3s6s9;s7s8;s7s9;s8s9;s13;s13;s14;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="0.364245"
                              y3="0.04141"
                              z3="-0.285255"/>
                        <atom elementType="O"
                              id="a2"
                              x3="4.967639"
                              y3="0.261298"
                              z3="-0.173074"/>
                        <atom elementType="O"
                              id="a3"
                              x3="4.474145"
                              y3="3.397535"
                              z3="-0.282624"/>
                        <atom elementType="O"
                              id="a4"
                              x3="0.020577"
                              y3="2.171034"
                              z3="-0.357892"/>
                        <atom elementType="O"
                              id="a5"
                              x3="3.305063"
                              y3="-1.115059"
                              z3="-0.142701"/>
                        <atom elementType="O"
                              id="a6"
                              x3="2.463278"
                              y3="4.180112"
                              z3="-0.340031"/>
                        <atom elementType="N"
                              id="a7"
                              x3="1.176429"
                              y3="1.322027"
                              z3="1.34207"/>
                        <atom elementType="N"
                              id="a8"
                              x3="3.431204"
                              y3="0.458348"
                              z3="1.422464"/>
                        <atom elementType="N"
                              id="a9"
                              x3="3.053026"
                              y3="2.842694"
                              z3="1.334761"/>
                        <atom elementType="N"
                              id="a10"
                              x3="0.486224"
                              y3="1.168951"
                              z3="0.127491"/>
                        <atom elementType="N"
                              id="a11"
                              x3="3.927714"
                              y3="-0.165599"
                              z3="0.266586"/>
                        <atom elementType="N"
                              id="a12"
                              x3="3.346152"
                              y3="3.506511"
                              z3="0.13284"/>
                        <atom elementType="C"
                              id="a13"
                              x3="2.037961"
                              y3="0.231638"
                              z3="1.769085"/>
                        <atom elementType="C"
                              id="a14"
                              x3="1.654341"
                              y3="2.652509"
                              z3="1.680839"/>
                        <atom elementType="C"
                              id="a15"
                              x3="3.945485"
                              y3="1.776017"
                              z3="1.756533"/>
                        <atom elementType="H"
                              id="a16"
                              x3="1.696401"
                              y3="-0.702104"
                              z3="1.340855"/>
                        <atom elementType="H"
                              id="a17"
                              x3="1.980268"
                              y3="0.186615"
                              z3="2.85784"/>
                        <atom elementType="H"
                              id="a18"
                              x3="1.57399"
                              y3="2.754713"
                              z3="2.764265"/>
                        <atom elementType="H"
                              id="a19"
                              x3="1.045646"
                              y3="3.402139"
                              z3="1.191443"/>
                        <atom elementType="H"
                              id="a20"
                              x3="4.014516"
                              y3="1.826849"
                              z3="2.844516"/>
                        <atom elementType="H"
                              id="a21"
                              x3="4.924518"
                              y3="1.915262"
                              z3="1.315966"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a10" order="S"/>
                        <bond atomRefs2="a2 a11" order="S"/>
                        <bond atomRefs2="a3 a12" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a10" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a8 a15" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a9 a14" order="S"/>
                        <bond atomRefs2="a9 a15" order="S"/>
                        <bond atomRefs2="a9 a12" order="S"/>
                        <bond atomRefs2="a13 a17" order="S"/>
                        <bond atomRefs2="a13 a16" order="S"/>
                        <bond atomRefs2="a14 a18" order="S"/>
                        <bond atomRefs2="a14 a19" order="S"/>
                        <bond atomRefs2="a15 a20" order="S"/>
                        <bond atomRefs2="a15 a21" order="S"/>
                     </bondArray>
                     <formula concise="C3H6N6O6">
                        <atomArray count="3 6 6 6" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.06869999999992</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,7,8,9,10,11,12,1,4,2,5,3,6/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12,13,14,15)/CRV:10.1,11.1,12.1,13.1,14.1,15.1/rA:21O1O1O1O1O1O1NNNNNNCCCHHHHHH/rB:;;;;;;;;s1s4s7;s2s5s8;s3s6s9;s7s8;s7s9;s8s9;s13;s13;s14;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="0.361129"
                              y3="0.038238"
                              z3="-0.281494"/>
                        <atom elementType="O"
                              id="a2"
                              x3="4.964088"
                              y3="0.265237"
                              z3="-0.176865"/>
                        <atom elementType="O"
                              id="a3"
                              x3="4.478235"
                              y3="3.400913"
                              z3="-0.278172"/>
                        <atom elementType="O"
                              id="a4"
                              x3="0.021216"
                              y3="2.168301"
                              z3="-0.359179"/>
                        <atom elementType="O"
                              id="a5"
                              x3="3.302145"
                              y3="-1.11183"
                              z3="-0.145681"/>
                        <atom elementType="O"
                              id="a6"
                              x3="2.465722"
                              y3="4.178843"
                              z3="-0.341463"/>
                        <atom elementType="N"
                              id="a7"
                              x3="1.176949"
                              y3="1.321323"
                              z3="1.341818"/>
                        <atom elementType="N"
                              id="a8"
                              x3="3.431793"
                              y3="0.457509"
                              z3="1.423502"/>
                        <atom elementType="N"
                              id="a9"
                              x3="3.053542"
                              y3="2.841891"
                              z3="1.33432"/>
                        <atom elementType="N"
                              id="a10"
                              x3="0.485547"
                              y3="1.166595"
                              z3="0.128286"/>
                        <atom elementType="N"
                              id="a11"
                              x3="3.925506"
                              y3="-0.163216"
                              z3="0.264407"/>
                        <atom elementType="N"
                              id="a12"
                              x3="3.348684"
                              y3="3.5070"
                              z3="0.133807"/>
                        <atom elementType="C"
                              id="a13"
                              x3="2.038376"
                              y3="0.231387"
                              z3="1.77017"/>
                        <atom elementType="C"
                              id="a14"
                              x3="1.654555"
                              y3="2.652209"
                              z3="1.679201"/>
                        <atom elementType="C"
                              id="a15"
                              x3="3.945637"
                              y3="1.775473"
                              z3="1.757425"/>
                        <atom elementType="H"
                              id="a16"
                              x3="1.696619"
                              y3="-0.7028"
                              z3="1.343078"/>
                        <atom elementType="H"
                              id="a17"
                              x3="1.980963"
                              y3="0.18765"
                              z3="2.85897"/>
                        <atom elementType="H"
                              id="a18"
                              x3="1.57312"
                              y3="2.755867"
                              z3="2.762431"/>
                        <atom elementType="H"
                              id="a19"
                              x3="1.04638"
                              y3="3.401175"
                              z3="1.188139"/>
                        <atom elementType="H"
                              id="a20"
                              x3="4.013526"
                              y3="1.826352"
                              z3="2.845456"/>
                        <atom elementType="H"
                              id="a21"
                              x3="4.925091"
                              y3="1.914781"
                              z3="1.317823"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a10" order="S"/>
                        <bond atomRefs2="a2 a11" order="S"/>
                        <bond atomRefs2="a3 a12" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a10" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a8 a15" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a9 a15" order="S"/>
                        <bond atomRefs2="a9 a14" order="S"/>
                        <bond atomRefs2="a9 a12" order="S"/>
                        <bond atomRefs2="a13 a17" order="S"/>
                        <bond atomRefs2="a13 a16" order="S"/>
                        <bond atomRefs2="a14 a18" order="S"/>
                        <bond atomRefs2="a14 a19" order="S"/>
                        <bond atomRefs2="a15 a20" order="S"/>
                        <bond atomRefs2="a15 a21" order="S"/>
                     </bondArray>
                     <formula concise="C3H6N6O6">
                        <atomArray count="3 6 6 6" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.06869999999992</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,7,8,9,10,11,12,1,4,2,5,3,6/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12,13,14,15)/CRV:10.1,11.1,12.1,13.1,14.1,15.1/rA:21O1O1O1O1O1O1NNNNNNCCCHHHHHH/rB:;;;;;;;;s1s4s7;s2s5s8;s3s6s9;s7s8;s7s9;s8s9;s13;s13;s14;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-898.000855045399</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-898.003124395180</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-898.003242867097</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-898.003247311060</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-898.003257423504</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-898.003257826353</scalar>
               </module>
               <module cmlx:templateRef="loewdin">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="21">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="21">O O O O O O N N N N N N C C C H H H H H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="21">-0.013982 -0.017694 -0.014198 -0.012732 -0.017605 -0.013092 0.168983 0.171922 0.169233 -0.097253 -0.097498 -0.097245 -0.095189 -0.095927 -0.095044 0.021305 0.030325 0.032689 0.021404 0.030306 0.021293</array>
               </module>
               <module cmlx:templateRef="mayer">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="21">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="21">O O O O O O N N N N N N C C C H H H H H H</array>
                     <array dataType="xsd:double" dictRef="o:na" size="21">8.2914 8.2948 8.2917 8.2900 8.2949 8.2903 7.0333 7.0414 7.0343 6.5809 6.5777 6.5802 6.1232 6.1279 6.1227 0.8198 0.8556 0.8556 0.8186 0.8552 0.8203</array>
                     <array dataType="xsd:double" dictRef="o:za" size="21">8.0000 8.0000 8.0000 8.0000 8.0000 8.0000 7.0000 7.0000 7.0000 7.0000 7.0000 7.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="21">-0.2914 -0.2948 -0.2917 -0.2900 -0.2949 -0.2903 -0.0333 -0.0414 -0.0343 0.4191 0.4223 0.4198 -0.1232 -0.1279 -0.1227 0.1802 0.1444 0.1444 0.1814 0.1448 0.1797</array>
                     <array dataType="xsd:double" dictRef="o:va" size="21">1.9898 1.9867 1.9898 1.9896 1.9865 1.9892 2.9289 2.9387 2.9309 4.4852 4.4845 4.4851 4.0330 4.0453 4.0312 1.0226 0.9923 0.9928 1.0200 0.9921 1.0230</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="21">1.9898 1.9867 1.9898 1.9896 1.9865 1.9892 2.9289 2.9387 2.9309 4.4852 4.4845 4.4851 4.0330 4.0453 4.0312 1.0226 0.9923 0.9928 1.0200 0.9921 1.0230</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="21">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 0.0000</array>
                  </module>
                  <module cmlx:templateRef="bonds">
                     <array dataType="xsd:double" dictRef="x:distance" size="24">0.1597 1.7003 0.1560 1.7003 0.1594 1.7006 1.7010 1.6998 1.7009 1.0159 0.9354 0.9369 1.0237 0.9362 0.9359 1.0163 0.9376 0.9356 0.9453 0.9943 0.9925 0.9475 0.9945 0.9450</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="24">0 3 0 9 1 4 1 10 2 5 2 11 3 9 4 10 5 11 6 9 6 12 6 13 7 10 7 12 7 14 8 11 8 13 8 14 12 15 12 16 13 17 13 18 14 19 14 20</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="mullikenpopulation">
                  <module cmlx:templateRef="atomiccharges">
                     <scalar dataType="xsd:double" dictRef="x:chargesum">0.0000000</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="21">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="21">O O O O O O N N N N N N C C C H H H H H H</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="21">-0.291446 -0.294843 -0.291749 -0.289991 -0.294947 -0.290332 -0.033276 -0.041362 -0.034278 0.419095 0.422274 0.419759 -0.123165 -0.127865 -0.122719 0.180173 0.144410 0.144367 0.181418 0.144780 0.179699</array>
                  </module>
               </module>
               <module cmlx:templateRef="irspectrum">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="57">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</array>
                  <array dataType="xsd:double" dictRef="cc:frequency" size="57">36.69 39.72 76.43 77.03 121.03 121.50 211.73 220.51 295.90 377.86 384.62 431.77 433.44 477.02 514.14 607.69 616.39 617.60 682.54 688.47 777.68 801.66 803.67 819.98 891.10 891.38 912.69 956.00 956.86 1004.15 1074.70 1079.68 1174.27 1285.12 1290.10 1295.66 1302.78 1344.75 1346.61 1368.35 1401.14 1405.53 1414.13 1423.97 1426.02 1465.97 1468.15 1498.79 1646.32 1682.81 1687.10 3086.47 3106.00 3110.85 3259.68 3260.47 3261.80</array>
                  <array dataType="xsd:double" dictRef="o:t2" size="57">0.000208 0.000119 0.000126 0.000459 0.000014 0.000042 0.001366 0.001646 0.000002 0.000025 0.000000 0.000263 0.000168 0.000800 0.001921 0.000063 0.002571 0.002740 0.000002 0.000004 0.002098 0.000265 0.000204 0.006086 0.000404 0.000359 0.001711 0.009448 0.008923 0.006081 0.005506 0.006423 0.000007 0.002264 0.002208 0.000009 0.000343 0.009923 0.008371 0.000007 0.000088 0.000630 0.012028 0.002626 0.003402 0.000234 0.000164 0.010398 0.000128 0.018686 0.019525 0.000123 0.000013 0.000550 0.000215 0.000218 0.000244</array>
                  <matrix cols="3"
                          dataType="xsd:double"
                          dictRef="cc:displacement"
                          rows="57">0.007849 -0.010914 0.005212 0.008926 0.006235 0.000471 0.000188 -0.000213 -0.011211 0.000247 -0.000465 -0.021409 0.002486 0.002868 -0.000142 0.004233 -0.004690 -0.001464 -0.022611 0.029235 0.000528 0.032172 0.024718 -0.000281 -0.001080 -0.000902 0.000001 0.002998 -0.003919 -0.000887 0.000471 0.000282 -0.000137 0.010220 -0.011909 0.004104 0.009658 0.008620 0.000358 -0.000703 0.000366 -0.028269 0.000199 0.000017 0.043831 0.005906 0.005340 -0.000093 0.040942 0.029919 -0.000191 0.031094 -0.042111 0.000294 -0.001036 -0.000585 0.000329 -0.000125 0.000038 0.001880 0.000617 -0.000969 -0.045794 0.008363 -0.011188 0.008382 0.011295 0.008563 0.001659 -0.004129 0.004624 0.077769 0.014499 0.013924 -0.000360 0.013359 -0.013123 -0.002856 0.001951 -0.002310 -0.041253 -0.082700 -0.051077 -0.000507 -0.048917 0.080691 -0.004325 -0.001570 0.001256 -0.077957 0.059579 0.044234 0.000069 0.047561 -0.064445 0.002720 -0.001858 -0.001772 0.000047 0.029461 -0.037300 0.002208 0.036977 0.028997 0.000032 -0.002510 -0.001686 0.000145 0.003075 -0.003160 0.017995 -0.059630 0.079678 -0.004262 -0.072861 -0.055342 0.000050 -0.002397 -0.001258 -0.000001 -0.007261 -0.005262 0.002809 0.004995 -0.007112 -0.023538 0.001107 -0.002299 -0.109644 -0.043579 -0.026822 0.002678 -0.031253 0.048386 0.009168 0.011851 0.009667 0.000387 -0.007960 0.009381 -0.003538 -0.005129 0.006264 0.101650 -0.008028 -0.007939 0.000413 -0.108953 -0.082551 0.000875 0.084080 -0.111549 0.003473 0.001380 -0.001612 -0.010878 -0.001641 -0.001296 -0.002893 -0.000536 0.000338 0.023438 0.009159 -0.010719 0.003997 -0.011310 -0.009476 0.000816 0.002105 -0.003537 -0.015062</matrix>
               </module>
               <module cmlx:templateRef="orbitalenergies">
                  <list cmlx:templateRef="orbital">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="549">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 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="549">2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="549"
                            units="nonsi:electronvolt">-524.3470 -524.3462 -524.3400 -524.3392 -524.2754 -524.2740 -400.3430 -400.3411 -400.3182 -395.3006 -395.2990 -395.2613 -283.1472 -283.1222 -283.1215 -38.6901 -38.6052 -38.5727 -33.4176 -33.3870 -33.3133 -32.8949 -30.8171 -30.8098 -25.8532 -25.4011 -25.3866 -21.8220 -21.7983 -20.4764 -19.9862 -19.3802 -19.3474 -19.2524 -19.2456 -19.0805 -19.0140 -18.1042 -18.0704 -17.0834 -16.9585 -16.7289 -16.6983 -15.4385 -15.4093 -13.7497 -12.7235 -12.6926 -12.2021 -12.1484 -12.1458 -11.9493 -11.8966 -11.8487 -11.5616 -11.3702 -11.3461 -0.0039 0.5357 0.5529 1.8138 3.5306 3.5923 3.6319 4.0514 4.0886 4.5867 4.7623 4.7709 4.8070 6.0263 6.3859 6.4114 6.8732 6.9921 7.1957 7.8439 7.8474 7.9905 8.0107 8.6563 8.6809 8.6960 8.9727 9.5814 10.6212 10.6372 10.8403 11.2018 11.3999 11.4261 11.8017 11.8154 12.4890 12.5191 12.6152 12.8523 13.1183 13.1465 13.3802 14.1359 14.2207 14.3001 14.4682 14.5619 14.5693 14.8880 15.2311 15.2889 15.5017 15.6067 15.6485 16.0510 16.2067 16.2579 16.5576 16.6079 16.6709 17.2143 17.5606 17.6611 17.9281 17.9973 18.0791 18.2675 18.4100 18.5774 19.2106 19.3988 20.2666 20.4194 20.9837 21.2217 21.2851 21.3980 21.4385 21.5458 21.7401 21.7985 22.7556 22.9388 23.5005 25.1485 25.2775 25.5201 25.6242 26.7013 26.7237 26.8616 26.8833 27.0377 27.0934 29.7482 29.9034 30.1086 30.1869 31.0579 31.0671 31.1646 31.3923 32.0409 32.0974 32.0997 32.6292 32.7046 32.7596 33.7398 34.2542 34.2854 34.7265 35.0518 35.3147 35.3815 36.3430 36.3858 36.9644 37.3614 37.4327 37.4528 38.4600 38.6037 39.6483 39.7426 39.8467 40.9476 41.4099 41.4959 41.9207 42.0255 42.2633 42.3484 42.4057 42.5743 43.3042 43.5033 43.6356 43.8699 44.4619 44.8506 45.0229 45.1544 45.8584 45.9391 46.7071 46.8438 47.2583 47.3594 48.7453 48.9348 48.9725 49.6531 49.8177 50.1074 50.2641 50.5385 50.6786 50.7455 51.3669 51.4865 53.0975 53.3161 53.4297 54.1441 54.3970 54.8088 55.0424 56.7156 56.8636 57.0477 57.8389 57.8779 58.0843 58.7321 58.7513 60.3238 60.3673 60.4619 60.8768 61.1766 61.3004 62.1747 62.1820 62.6339 62.9864 63.0121 64.0794 64.1358 64.4973 64.7444 64.7926 64.8444 66.0374 68.0029 68.1027 68.2584 68.6455 69.2332 69.3605 69.4585 69.5776 69.7281 72.4306 72.4519 72.5898 72.8354 74.3301 74.5599 74.6201 74.8303 74.8726 75.5636 76.3135 76.5141 76.8162 76.9702 77.3046 77.4181 77.6613 77.9899 78.0512 78.4570 78.5700 78.7434 78.8433 79.2780 79.3633 80.2813 81.2216 81.9430 83.0159 83.0500 83.5556 83.8961 83.9575 85.7020 85.8933 86.3001 86.3207 86.6915 86.7638 87.6738 87.6953 87.7911 88.3578 88.4381 88.4689 90.0476 90.1644 90.2531 90.9333 91.4510 91.6379 91.7323 92.9799 93.2032 93.2218 93.6053 94.2218 94.2848 95.9374 96.0454 97.3396 97.4982 97.7691 98.7895 99.1263 99.2932 99.3247 100.8140 100.8673 101.0849 101.3432 101.3608 102.6501 102.8428 103.0173 103.0251 103.1193 103.9140 103.9986 104.5103 104.8201 105.4581 105.6908 105.8976 106.1046 107.2928 107.5847 108.0597 108.2170 110.0366 110.2005 110.3340 110.5403 111.7084 111.7892 111.8890 112.0753 112.6180 112.8808 113.1856 113.6030 114.8937 114.9236 115.2462 115.7921 115.8860 116.3275 116.8107 117.0061 118.1919 118.5769 118.7442 120.8102 121.0782 121.6058 121.6335 121.8197 122.4772 123.8919 125.2193 125.2821 125.9835 126.1451 126.1940 126.6772 127.0752 127.1844 128.2890 128.5997 128.9408 128.9504 129.0820 129.8358 130.0115 130.1416 131.1315 131.3641 131.4635 131.6937 131.9374 132.6799 132.7130 135.3528 135.3628 136.1498 136.7126 136.8379 136.9625 137.2882 137.3183 137.7975 138.8258 139.3042 139.4831 140.1977 140.2512 140.6685 140.7950 140.8365 140.9626 140.9939 141.4278 141.8428 141.9526 142.1361 142.3147 142.3553 142.4769 142.6028 142.8205 142.9724 143.0093 143.9673 144.1330 144.1382 145.0437 145.1007 145.1859 145.8217 145.9850 146.7278 147.2394 147.3031 148.0821 148.2527 148.3352 148.5817 148.6508 148.8679 149.4971 150.0988 150.4728 150.6588 152.1060 152.2306 152.2389 153.0715 153.2511 153.5635 153.8246 155.4983 155.5648 156.0714 156.2518 156.3061 157.7216 157.8691 158.4579 159.1891 159.3658 159.5898 159.7027 159.9955 160.1934 160.4807 160.9165 162.0165 163.5490 163.6221 165.1506 165.9991 166.3763 166.8201 168.4119 168.6449 172.3244 173.2800 173.3293 174.7550 174.9184 174.9977 176.0239 177.0180 177.0821 177.2880 177.3649 177.4014 177.9791 178.4181 178.4599 179.5602 180.0169 180.0338 187.5349 188.2740 188.5303 189.0138 189.0688 189.1428 189.4938 189.5552 189.7096 189.8380 189.8428 189.8629 191.6504 191.6757 191.6790 196.4761 197.1666 197.1812 201.8237 201.8990 202.0489 203.0680 203.1605 204.1016 204.5037 204.6762 204.6917 206.2962 206.4402 206.6007 638.4396 639.1999 639.5410 881.9391 882.0750 882.4860 890.1009 897.5968 898.3368 1199.1838 1200.5558 1200.9536 1202.3755 1202.5865 1202.8887</array>
                  </list>
               </module>
               <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
                  <array dataType="xsd:double" dictRef="cc:frequency" size="63">0.00 0.00 0.00 0.00 0.00 0.00 36.69 39.72 76.43 77.03 121.03 121.50 211.73 220.51 295.90 377.86 384.62 431.77 433.44 477.02 514.14 607.69 616.39 617.60 682.54 688.47 777.68 801.66 803.67 819.98 891.10 891.38 912.69 956.00 956.86 1004.15 1074.70 1079.68 1174.27 1285.12 1290.10 1295.66 1302.78 1344.75 1346.61 1368.35 1401.14 1405.53 1414.13 1423.97 1426.02 1465.97 1468.15 1498.79 1646.32 1682.81 1687.10 3086.47 3106.00 3110.85 3259.68 3260.47 3261.80</array>
                  <matrix cols="63"
                          dataType="xsd:double"
                          dictRef="cc:displacement"
                          rows="63">0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -0.172900 -0.235239 0.222020 -0.205779 0.226565 -0.163304 0.260409 0.149510 0.222187 0.049347 -0.202330 -0.130672 -0.189499 0.211538 -0.133821 0.185166 -0.047747 -0.106341 0.031129 -0.035958 -0.037374 0.037983 -0.050766 0.155965 0.023739 -0.043086 -0.050779 -0.036251 -0.172431 0.023754 -0.136405 0.148602 -0.071022 0.171836 0.024668 0.029251 0.006175 0.004215 0.105809 -0.002045 0.001094 -0.140759 -0.003607 -0.005731 0.087863 0.007688 -0.029081 0.184299 -0.021285 0.102622 0.102904 -0.087754 0.113205 -0.144439 0.033621 -0.045061 -0.273216 -0.077565 0.048157 0.085580 0.022921 -0.016337 0.149844 -0.211318 0.078040 0.001108 0.228097 0.087084 0.195563 0.068335 -0.204274 0.028360 -0.315343 0.064518 0.187224 0.104760 0.231694 -0.215934 0.022828 -0.329348 -0.204902 0.044289 0.026180 -0.094227 0.039592 0.026963 0.010045 0.039209 0.033455 0.090672 -0.180520 0.060419 0.043360 0.134274 0.125659 -0.004974 0.045379 -0.186683 -0.040210 0.006100 -0.010131 -0.129996 0.009436 0.007643 -0.008897 -0.008416 0.007624 0.143999 0.034592 0.031409 -0.255072 -0.071127 -0.122595 -0.128182 -0.038784 -0.018907 -0.009131 0.023871 0.014147 -0.018118 -0.145589 -0.038988 0.142772 0.042924 0.026139 0.278256 -0.462302 -0.150107 0.275525 0.293131 -0.218751 0.269053 -0.098703 -0.080961 -0.147158 0.158405 -0.048989 -0.175372 0.011620 0.115484 -0.168741 0.086384 0.397124 0.233812 0.013221 -0.032136 -0.062266 0.020461 0.023866 -0.069579 -0.024624 0.005125 -0.053268 -0.106040 -0.087401 0.020782 0.120702 -0.028834 0.020038 -0.016157 0.118575 0.017193 0.026900 -0.020329 -0.071602 -0.021182 -0.018430 -0.067008 0.000280 0.024811 -0.059176 0.041650 -0.017033 -0.093212 0.034015 -0.046389 -0.070456 -0.044388 -0.016701 -0.066725 -0.025647 -0.030646 -0.082609 0.002758 0.030663 -0.058415 -0.002999 0.038461 -0.062819 -0.173549 -0.005370 0.003826 0.055759 -0.138623 -0.016457 0.213786 0.426145 0.219260 -0.380868 -0.036421 0.159573 0.188204 -0.301179 0.202634 0.076569 0.080900 -0.045767 0.008171 0.008116 -0.101636 -0.018095 -0.002427 -0.124784 0.016438 -0.020509 -0.110524 -0.199994 -0.010699 0.032691 0.083286 -0.163550 0.038113 0.113552 0.177983 0.034933 -0.010146 -0.006952 -0.114420 0.011755 0.008032 -0.122531 0.016947 -0.018961 -0.123711 -0.015348 0.001633 -0.131392 -0.012707 -0.024145 -0.112747 0.001139 0.037316 -0.122104 0.023628 0.001739 -0.151494 0.047540 -0.027092 -0.122013 0.007017 -0.026334 -0.152076 -0.336500 0.031873 0.081129 -0.167700 0.400995 -0.260024 -0.039392 -0.265602 -0.051598 0.133160 0.111102 -0.101912 0.381355 -0.260537 0.264058 0.078385 0.029378 0.067250 0.017645 -0.000830 -0.076829 -0.005527 -0.000879 -0.010822 0.004346 0.020746 0.088083 -0.068655 0.049610 -0.024499 0.073865 0.048513 -0.000763 0.013862 -0.079824 0.025022 -0.025007 -0.048244 -0.095413 -0.010995 -0.016109 0.011956 -0.045456 -0.016407 0.084472 -0.001450 -0.013466 -0.200561 -0.095433 -0.148074 -0.095321 -0.055601 -0.069951 0.012551 -0.000563 -0.000704 0.024315 -0.141386 -0.075559 0.085420 -0.011381 0.001951 0.176243 0.265197 -0.065787 -0.143838 -0.072777 0.111297 -0.024107 -0.003330 -0.340719 -0.165062 -0.428491 -0.179679 0.163530 -0.016819 0.045977 0.023803 0.288136 0.401062 0.189883 0.017896 0.001220 -0.070432 0.018861 -0.023167 0.102208 -0.004784 -0.013558 -0.053190 -0.055031 -0.086178 -0.009004 -0.028823 0.051938 0.020980 0.099385 0.019631 -0.003233 -0.007329 0.024789 0.031540 -0.033198 0.037124 -0.119405 -0.032820 0.009378 0.051012 0.002664 0.003291 0.074400 -0.058334 0.094080 0.030267 -0.117887 0.129746 -0.124195 -0.000998 0.000246 -0.231842 -0.112429 0.062662 0.050127 -0.005722 -0.001104 0.114768 0.165205 -0.093080 0.185067 0.071201 -0.085754 -0.083514 0.052552 -0.183047 0.183753 -0.009768 -0.131078 -0.085318 0.062672 -0.086555 -0.072746 0.124329 -0.021778 -0.077833 -0.143162 0.096162 0.167623 -0.168197 0.209573 -0.413543 -0.057107 0.170177 0.185254 0.012324 -0.034830 0.079165 0.006067 -0.008521 -0.157710 0.030352 -0.019341 0.085723 -0.012478 0.107117 -0.044100 -0.111598 0.139760 0.078069 -0.096129 0.036282 -0.040355 -0.089400 0.103625 0.037078 0.252143 0.105253 -0.039364 -0.194445 0.229864 0.071143 -0.081114 0.105410 -0.033000 -0.140912 -0.229071 -0.034727 -0.078953 0.112586 0.033971 -0.053543 -0.079900 -0.008011 -0.029709 -0.172459 -0.145639 -0.091249 -0.025062 -0.002008 -0.152962 -0.096492 -0.166381 -0.178120 0.012791 0.149768 -0.131495 -0.128691 0.169228 0.216085 0.100163 -0.316834 0.117727 0.086743 0.009956 0.148573 0.184404 0.311801 -0.013582 -0.022458 -0.147631 -0.023393 -0.018083 0.003910 -0.025216 -0.007382 0.143161 0.093076 0.142484 -0.083446 0.057999 0.040772 -0.002317 0.165141 0.059528 0.085331 0.121045 0.096703 0.008708 -0.004690 0.285260 -0.084397 -0.153119 -0.130376 -0.002093 0.128056 0.097605 -0.002241 0.289749 -0.053978 0.085496 0.123804 0.092430 -0.012641 0.122656 -0.038824 0.169051 -0.033050 0.159309 0.158340 -0.013417 0.129804 -0.167969 -0.109880 -0.086116 -0.169501 0.149490 -0.067520 -0.158452 -0.107940 -0.091274 0.168854 -0.035235 0.189746 -0.003975 -0.150688 -0.121814 0.000043 0.178153 -0.073289 0.003629 -0.011359 0.048204 -0.002578 -0.033182 -0.027721 0.000114 0.044117 -0.020907 0.002498 -0.188827 0.072239 0.002509 0.155219 0.125658 -0.000476 0.031510 -0.199365 -0.002176 -0.325761 0.115802 0.018620 -0.171476 0.088350 0.002453 0.146867 0.119511 -0.000489 0.268782 0.217478 -0.001085 0.049659 -0.186638 -0.002244 0.046061 -0.342054 -0.016951 -0.035476 -0.051535 -0.085622 -0.044492 0.070824 0.099859 0.056918 0.027388 -0.088121 0.001132 -0.051696 0.002235 -0.060357 0.057814 0.099467 0.050265 -0.009076 -0.001998 -0.076231 -0.086841 0.041642 -0.128473 0.154588 -0.108596 0.101940 0.062259 0.043915 -0.029059 -0.069787 -0.027131 -0.068292 0.083116 0.063166 0.073909 0.017462 -0.029691 -0.055121 -0.079341 -0.069323 0.110053 -0.133862 0.123825 0.082061 0.035647 -0.065578 0.071339 -0.049493 -0.251698 -0.074651 -0.275522 -0.067242 0.313907 -0.386810 0.136509 0.022430 -0.027760 0.436554 0.265806 0.011114 -0.064603 0.030628 -0.084119 -0.235380 -0.047013 0.024699 -0.064120 0.045918 0.022777 -0.024376 0.015944 -0.052501 0.063294 -0.049251 0.011186 -0.085553 0.029174 0.043325 0.028612 0.001925 -0.052515 0.086282 -0.157203 0.002706 0.064651 0.046779 0.043398 -0.002147 -0.027917 -0.153854 -0.064743 -0.074395 0.014771 -0.050060 0.042041 0.037463 0.001216 0.000706 -0.076750 0.049986 0.032528 0.132953 0.116837 -0.029789 -0.027588 0.001977 0.139096 0.005436 -0.121983 0.037994 0.004513 0.417459 0.164448 0.416858 0.115422 0.009165 -0.002948 0.002139 0.048887 0.039086 0.006973 0.454849 0.076299 -0.122589 0.009147 0.031936 -0.432083 -0.058446 -0.003334 -0.107708 0.008259 0.003591 0.011471 0.017516 0.060222 -0.110949 0.068153 0.017866 0.101287 -0.009183 -0.001002 0.021799 -0.032814 -0.065937 0.107481 -0.032519 -0.065055 0.045568 -0.058704 0.076399 -0.120714 0.070191 0.007531 0.036074 0.000523 -0.056283 0.008914 -0.012951 0.020934 -0.014197 0.056978 -0.016000 0.007617 0.030006 0.014339 0.086071 -0.015125 0.018939 -0.176579 -0.020950 -0.025814 0.096486 0.015091 -0.064952 0.281471 0.177373 0.189556 0.087385 -0.251005 0.316807 -0.193871 0.085306 -0.103218 -0.519449 -0.247655 -0.133233 0.099408 0.069786 -0.023721 0.313245 0.048885 0.016629 0.058050 0.060619 -0.073146 -0.123683 0.024860 0.038009 -0.046235 -0.038910 -0.016874 -0.093633 -0.058750 0.076288 0.122496 -0.022195 -0.030247 0.085444 -0.122170 0.028718 0.111106 0.066923 0.050403 0.003470 -0.004937 -0.129383 -0.118647 -0.037192 0.037907 0.011510 0.061614 0.049608 -0.000052 0.023846 -0.044049 -0.011959 0.004478 -0.022535 -0.151630 0.019195 0.012772 0.008463 -0.020279 0.011873 0.144239 0.075585 0.091364 -0.470277 -0.074178 -0.373125 -0.151194 0.115170 0.062773 0.009376 0.043303 0.043640 0.027740 -0.367907 0.016407 0.145863 0.102853 0.059054 0.450519 0.035894 0.002248 0.047768 -0.019439 0.031507 0.037801 -0.009449 -0.034245 0.046504 0.034846 0.012014 0.047721 -0.026870 0.026088 0.038270 -0.018879 -0.031654 0.047038 0.037161 0.007492 -0.006822 -0.016417 0.019886 -0.003179 -0.014523 -0.033335 -0.006249 0.031591 0.006061 0.038481 -0.019459 0.024452 0.030738 -0.012088 -0.029312 0.037779 -0.015451 -0.050246 -0.106566 -0.036525 0.044932 -0.117078 0.050104 0.003994 -0.105414 0.027229 0.055696 -0.395639 -0.123489 -0.332519 -0.105893 -0.235821 0.290546 -0.130607 0.046944 -0.059882 -0.418975 0.344809 0.050460 -0.106691 -0.062585 -0.017050 -0.389957 0.041889 -0.018837 0.095363 -0.009786 0.060818 0.080951 0.008200 -0.047474 0.096848 0.019855 0.038467 0.073967 -0.055852 0.020731 0.079222 -0.042092 -0.011661 0.071629 0.168959 0.025586 -0.198745 -0.073275 0.087421 -0.176867 -0.058878 -0.153327 -0.194400 0.071159 0.020445 0.000329 -0.040150 0.047585 0.003773 -0.035661 -0.062972 0.001227 0.040439 0.081151 -0.027081 0.061399 -0.073664 -0.010380 -0.088663 -0.022861 -0.029002 -0.010229 -0.011783 0.252171 0.139655 0.381531 -0.027196 0.271246 -0.335458 0.004768 -0.019084 0.024457 0.285623 -0.399075 -0.058572 -0.027058 0.013450 0.005698 0.246438 -0.088140 -0.098105 -0.168377 0.102478 -0.022868 -0.105884 -0.112165 -0.067269 0.166718 0.094816 -0.079598 0.136511 0.002623 0.104838 0.101547 -0.058661 0.107911 -0.132052 -0.017619 0.101284 0.024852 -0.054087 -0.044341 0.003441 0.093331 -0.037061 -0.026506 0.021333 -0.137846 -0.001248 0.080392 0.065631 -0.001391 -0.128387 0.048723 0.002316 -0.200060 0.097249 -0.009250 0.222291 0.181697 -0.000665 0.052365 -0.210535 0.010366 -0.323844 0.170036 -0.078246 -0.130129 -0.008274 -0.008165 0.167522 0.132331 -0.000370 0.339048 0.278274 0.002702 -0.030239 -0.116445 0.009487 0.096025 -0.346530 0.073269 -0.076810 0.000598 -0.116146 -0.146956 0.041920 0.150720 -0.025666 -0.077412 0.122631 -0.006896 -0.068104 -0.027358 0.002474 -0.151514 -0.142154 -0.067808 0.017847 0.011629 -0.008533 0.035652 0.114627 0.090187 0.074044 -0.007627 0.040964 -0.017802 -0.106491 -0.002670 -0.041911 -0.011905 -0.114144 -0.093245 0.002243 -0.051039 0.010896 0.011712 0.177622 0.074377 -0.048898 0.126598 0.093653 -0.003160 0.120546 0.143692 0.050664 0.274436 0.154203 -0.343295 0.078048 -0.260877 -0.047117 0.176118 0.162856 -0.004166 0.160617 0.110722 -0.022660 -0.242728 0.105941 0.051388 0.226133 0.218882 0.357649 0.035763 0.102112 0.081035 0.002216 0.074963 0.061995 -0.107051 -0.008221 0.072621 -0.109516 0.027249 -0.161873 -0.073694 0.029700 0.078696 0.001562 0.114972 -0.165229 0.017030 -0.090439 0.061664 0.004564 -0.016369 -0.108831 0.082818 -0.035514 0.070356 -0.024317 0.110680 -0.008364 0.001273 0.011318 0.016184 -0.101086 0.046583 -0.009238 0.116525 -0.140882 0.043106 0.095344 -0.126163 -0.061329 0.103627 -0.161292 0.038131 0.136868 -0.216874 0.217637 0.237633 0.032870 0.043930 -0.178027 0.204904 -0.079668 0.190842 -0.245588 -0.426860 -0.059173 -0.238548 0.040223 0.165926 -0.206529 0.184901 -0.085659 0.102652 -0.092136 0.060263 -0.009046 -0.042848 0.083935 -0.092782 0.076077 -0.096296 -0.097523 -0.147500 -0.012753 0.062726 0.055681 -0.103236 -0.076369 0.143828 0.168744 -0.006857 0.116948 -0.049574 -0.054083 -0.004983 0.015636 0.156736 -0.106806 0.041421 0.036196 -0.000171 0.042193 0.032315 -0.001136 0.047291 0.025987 -0.000712 0.028360 -0.253560 0.188325 0.140611 0.136143 0.013375 -0.254870 0.056161 -0.196168 -0.080197 -0.195629 0.129816 0.111395 -0.288048 0.191990 0.266712 0.243248 0.013314 -0.039120 -0.013146 0.006130 -0.261679 0.129215 -0.199581 -0.225580 -0.038698 -0.141754 -0.089729 0.002070 -0.114181 0.014883 0.154101 0.120103 0.005223 0.100940 -0.123136 0.005572 -0.088788 -0.011685 -0.151865 0.010730 0.117357 0.098599 -0.014570 -0.030250 0.079994 0.080796 0.060109 0.120452 -0.142898 -0.103443 -0.097527 -0.081776 0.073059 0.037501 -0.042696 0.002081 0.026696 -0.036695 -0.009495 0.027965 -0.048720 0.002722 0.216691 0.073848 -0.106285 -0.187077 0.213808 0.215881 -0.087469 -0.207973 -0.082132 0.037077 0.141583 -0.101002 0.328887 0.003505 -0.104623 -0.204202 0.218219 0.218320 -0.159559 0.202866 0.138194 -0.042057 -0.339979 -0.080055 -0.119528 -0.006820 -0.082621 0.126502 -0.079151 0.027118 0.031570 0.148274 0.047876 0.053783 -0.138943 0.029322 0.094174 0.116932 0.024591 -0.151058 -0.000674 0.050528 -0.134873 -0.065406 0.027804 -0.188628 -0.032112 -0.025091 0.137279 -0.169478 0.001157 0.071233 0.180767 -0.023768 -0.254258 -0.043415 0.074965 0.107162 -0.129874 0.016070 0.092462 0.231090 0.068764 0.033185 0.029742 -0.143986 0.019414 -0.020617 -0.127607 -0.040152 -0.025843 -0.145671 -0.015334 -0.075087 0.178565 0.135207 0.301341 -0.149140 0.207348 -0.251689 -0.119322 -0.061971 0.079889 0.189894 -0.323383 -0.067846 -0.148996 0.073708 -0.000157 0.173991 -0.045286 -0.020629 0.043064 -0.116081 0.150308 -0.176721 0.034399 0.051058 0.053211 -0.047369 0.001279 0.047810 -0.126973 0.140920 -0.177176 0.012613 0.057742 0.057914 -0.044427 0.004237 0.029877 -0.062838 0.077446 -0.146856 0.007982 0.051618 0.038274 0.160056 0.020931 -0.126823 0.388047 -0.465606 0.536529 -0.068588 -0.188242 -0.156572 -0.055338 -0.002258 -0.002810 0.001994 0.003262 0.002069 0.009944 0.053845 -0.003398 -0.097229 -0.004783 0.040245 -0.038642 0.067251 -0.001880 -0.028322 0.040773 -0.001440 0.011809 -0.006717 -0.028328 -0.049631 0.056296 -0.002296 0.017711 0.094074 0.030115 -0.146115 -0.031517 0.121683 -0.003110 0.008658 -0.011178 -0.061218 -0.140024 -0.124607 -0.148838 -0.013048 0.120202 -0.004792 0.009641 -0.006872 -0.046810 -0.145268 -0.123115 -0.102728 -0.015853 0.103348 -0.008887 0.000305 -0.008125 -0.037768 -0.098106 -0.107277 0.483195 0.079270 -0.355800 0.022907 -0.020867 0.027018 0.183024 0.464423 0.364990 -0.027716 0.025681 0.003896 -0.057960 -0.044182 0.001162 0.024381 -0.027818 -0.002171 -0.034345 0.055250 -0.059707 -0.058455 -0.055259 0.002537 -0.056155 -0.043011 0.001257 -0.083267 -0.065155 0.000344 -0.069595 -0.042323 0.000028 0.053549 -0.038315 0.064634 0.071964 0.099422 -0.137490 -0.087841 -0.039438 -0.102501 -0.109818 -0.042372 -0.132063 0.100561 -0.072871 -0.136044 0.054497 0.076723 -0.104650 0.052401 -0.105980 -0.131439 0.246442 0.037585 -0.113438 -0.126210 0.154804 -0.084851 -0.086075 -0.226567 -0.107697 -0.328419 -0.049990 0.331022 0.088332 -0.104600 0.235758 0.109118 0.286722 0.316227 -0.013501 -0.058787 0.105732 -0.044851 0.058303 0.092857 0.058847 0.002299 0.106630 0.012480 -0.005243 -0.068162 -0.047353 -0.144331 0.111195 -0.060788 0.076639 0.097656 -0.019584 0.026396 -0.018668 0.160629 0.019000 0.111357 -0.003746 -0.013826 -0.076725 0.047237 -0.162347 0.034010 0.005935 0.009732 0.008620 -0.167363 0.090078 -0.038832 -0.009532 0.162972 0.032708 -0.021517 -0.016488 -0.001586 0.179613 -0.049752 -0.036377 -0.073796 -0.007193 -0.036646 0.015338 0.001303 -0.003428 -0.028143 -0.077650 0.042909 -0.080946 -0.018282 -0.136658 0.003686 -0.010834 -0.014693 -0.037808 -0.085824 0.154534 0.059758 -0.161939 0.029160 0.221961 0.158300 -0.004598 -0.143354 0.139268 -0.028697 0.153540 -0.251919 0.160581 0.083945 -0.036055 0.028800 0.170626 0.134905 -0.005104 0.441625 0.328682 -0.018313 -0.026261 0.123764 -0.029053 -0.215375 0.299800 -0.148143 0.032849 -0.108776 0.030679 -0.140091 -0.146688 -0.033740 0.068647 -0.038257 0.023196 -0.009202 0.125591 0.017623 0.169554 0.107332 -0.038290 -0.088233 0.026189 0.011173 -0.051596 -0.021190 -0.025392 -0.053257 0.067294 0.042618 0.026560 0.031446 -0.017798 -0.057828 -0.008412 -0.099605 -0.071503 0.088774 0.154114 0.012919 0.039486 -0.071083 0.255499 -0.030044 -0.008687 -0.071164 0.130333 0.025506 -0.051755 -0.233880 -0.012872 0.511506 -0.102211 -0.061450 0.180772 -0.069513 -0.008061 0.012286 0.018637 0.031377 -0.088380 0.195230 0.162978 0.025713 -0.169692 -0.012841 -0.048222 -0.474285 -0.089674 -0.026599 0.118930 -0.019810 -0.088969 -0.076957 -0.018616 -0.107366 0.048582 -0.019245 0.015988 -0.122008 -0.014899 0.092579 0.072242 -0.020681 0.111997 -0.040271 -0.015327 -0.024406 -0.001411 0.097055 0.008912 -0.010716 0.093907 0.006533 0.023619 0.096419 0.038656 0.008160 0.094288 -0.018360 0.023727 0.097261 -0.014118 -0.032527 0.092046 0.105635 0.261767 -0.157793 0.177764 -0.223016 -0.142067 -0.276601 -0.051458 -0.155165 0.104147 0.254007 -0.114967 0.087705 0.251179 -0.157078 0.162193 -0.203151 -0.143072 0.172594 -0.220019 -0.108425 -0.263832 -0.036241 -0.154413 -0.267527 -0.053391 -0.110945 0.017365 -0.054249 0.001509 0.002752 -0.002853 -0.002243 -0.040336 0.024177 -0.001841 -0.005270 0.062369 -0.002346 0.011104 0.012665 0.001838 0.053512 -0.017469 0.002312 0.055992 0.028704 0.018201 0.035085 0.018552 -0.001301 0.046381 0.037387 -0.015008 -0.057193 -0.009138 -0.059687 -0.000820 0.009169 0.007896 -0.016347 -0.046822 0.051837 -0.048157 0.060208 0.147546 -0.081570 -0.072747 0.025437 0.049684 -0.036540 -0.174172 0.008620 0.236504 -0.334149 -0.173148 -0.381986 0.150424 -0.092627 0.016238 0.022389 -0.071120 -0.108697 -0.054252 -0.484119 -0.086879 -0.173898 0.268319 -0.007457 0.388946 0.004801 -0.030269 -0.002192 -0.043302 -0.040649 0.000898 0.039904 -0.017503 -0.001865 0.002669 0.015819 0.001640 0.047127 0.032456 -0.000722 -0.030334 0.005301 0.001071 0.029415 -0.038754 0.007267 0.031202 -0.046233 -0.008536 0.020366 -0.047635 0.011031 -0.021294 -0.008733 -0.021855 -0.036423 0.044092 0.054519 0.017495 0.031735 -0.035932 -0.081885 0.002778 -0.118565 0.033430 -0.017862 0.191404 0.001121 0.092379 -0.076844 -0.141088 -0.127989 0.254394 0.065282 0.323900 -0.120145 -0.331877 0.422674 0.168758 0.197439 -0.220071 -0.410265 -0.214061 0.025450 -0.076110 0.090730 0.118616 0.159416 0.018586 -0.092728 -0.009106 0.068439 0.053341 -0.010860 0.086289 -0.036853 -0.009442 -0.014432 0.093527 -0.012648 -0.065736 -0.056965 -0.009333 -0.087771 0.033720 -0.012174 0.084891 0.020053 0.052588 -0.046334 0.056573 0.028210 -0.036894 -0.077758 0.050681 -0.074029 -0.014144 -0.072767 0.042569 -0.052754 -0.058347 0.028595 0.068694 -0.071884 0.049115 0.149945 0.076919 0.100538 -0.124865 0.066672 -0.155652 -0.017054 0.079550 0.078739 0.301538 -0.306059 -0.086147 -0.272984 0.085252 -0.157548 0.196040 0.056620 0.193231 -0.244921 -0.270290 0.288173 0.029434 0.084973 -0.313546 -0.019410 -0.306650 -0.008490 0.066089 0.010959 0.005800 0.002356 0.000140 0.061114 -0.021164 -0.010780 0.013084 -0.063172 0.015286 -0.002283 -0.000291 -0.001811 -0.057181 0.025165 -0.014745 -0.124828 0.008436 -0.139786 0.039600 0.041174 0.005703 -0.011107 -0.121475 0.132236 0.055077 0.009818 0.070714 0.001429 -0.003475 -0.003312 0.020063 0.050495 -0.067425 0.010179 -0.039038 0.107212 0.030135 0.025893 0.006259 -0.039951 0.013743 -0.109609 0.317864 -0.043153 -0.164365 -0.241963 -0.143090 0.101227 -0.281981 -0.210370 0.005985 0.454548 0.360351 -0.011968 -0.198690 -0.181296 -0.102285 0.029388 0.276660 0.166489 -0.004731 0.030922 0.007600 0.070070 0.048055 -0.018010 -0.035140 0.013014 0.008786 0.007547 -0.031691 0.005163 -0.061014 -0.059644 -0.016383 0.034938 -0.016561 0.006517 -0.051060 -0.068685 -0.071466 -0.101098 0.121315 0.138250 0.078576 0.047395 -0.083421 0.026444 0.006811 0.035572 0.047734 -0.059157 -0.074997 -0.013928 -0.029398 0.041622 0.045924 0.018267 -0.049333 -0.027288 0.031764 0.118822 -0.024013 -0.042713 -0.040401 0.463930 -0.185175 0.073000 -0.252741 0.195792 -0.051695 -0.143457 0.202418 0.105983 0.036808 -0.087047 -0.190532 -0.124874 0.303553 -0.043495 0.084465 -0.518315 0.061216 -0.011031 -0.026161 -0.025390 0.025526 -0.000277 -0.020965 -0.027759 -0.005475 0.025260 0.019261 -0.018873 0.025722 0.004890 0.025462 0.020509 -0.014230 0.022733 -0.025299 -0.030194 0.199459 -0.000238 -0.140870 -0.114133 0.001188 0.187875 -0.070044 -0.001046 -0.002276 0.002958 -0.000502 -0.002482 -0.002532 0.000180 0.002372 -0.003004 0.000624 0.176245 -0.075357 -0.004642 -0.150667 -0.122828 0.000977 -0.036610 0.188097 0.003643 -0.390369 0.126227 0.014985 0.291208 -0.090190 -0.001989 -0.237094 -0.190157 0.000987 0.305542 0.245941 -0.001899 -0.029023 0.300564 0.000746 0.043775 -0.407567 -0.012836 -0.021621 -0.067142 -0.052166 -0.021923 -0.004815 0.011539 0.070161 0.007599 -0.052193 0.031563 -0.035322 0.041752 0.008463 0.018419 0.009559 0.027853 -0.038297 0.041107 -0.079601 0.384140 -0.028773 -0.016177 0.031149 0.032208 -0.356626 0.157051 -0.028074 0.006180 0.026498 0.019441 0.017900 -0.021456 -0.032505 -0.027349 -0.000922 0.020009 0.067511 -0.169953 -0.002057 0.164900 -0.203905 0.025017 0.147532 -0.106532 -0.002227 0.168533 -0.257310 0.117047 0.023667 0.142314 -0.009126 -0.186891 0.220739 0.011029 0.227949 -0.291294 -0.218163 -0.139831 0.022766 -0.007981 0.211390 -0.225808 0.112428 0.006578 0.007642 0.014139 0.073355 0.007462 -0.051621 0.011114 0.005048 -0.015612 -0.034010 0.046322 -0.040685 0.022859 0.072684 0.050995 0.038736 -0.044035 0.041224 0.007171 -0.229721 -0.023759 -0.354608 -0.286953 0.002093 -0.231984 0.058460 0.023751 0.026040 -0.008369 0.036841 -0.026161 -0.023318 0.000047 -0.003757 0.027483 -0.035765 0.170185 0.184742 0.006856 0.112002 0.086530 -0.000018 0.220130 0.124921 -0.008499 0.085075 0.299240 -0.190517 -0.122426 -0.215052 0.015646 -0.055192 -0.040119 0.000064 0.250843 0.197251 -0.003563 -0.237396 -0.073175 -0.014268 0.316129 0.026872 0.192617 0.005567 0.012411 0.010860 -0.015769 0.000114 0.011466 0.012235 0.002988 -0.010286 -0.008239 0.007128 -0.009711 -0.002805 -0.015274 -0.010984 0.005666 -0.009887 0.009792 0.011193 -0.077039 0.000005 0.073827 0.058884 -0.001178 -0.070847 0.027501 -0.001191 -0.000112 -0.000099 -0.001040 0.000452 0.000685 -0.000093 0.000096 0.000006 0.000806 -0.021998 0.002919 0.000445 0.013341 0.011162 0.000475 -0.002862 -0.021551 0.000947 -0.459557 0.167208 -0.004945 0.292123 -0.108100 0.004940 -0.230337 -0.185744 0.000780 0.362710 0.293689 -0.001532 -0.042662 0.307545 -0.004133 0.065066 -0.483708 0.001977 0.007811 0.067197 0.032278 -0.081843 -0.027927 0.039757 -0.069761 0.006094 0.033745 0.029540 -0.059089 0.034303 0.043946 0.075708 0.038575 0.053101 -0.042495 0.034655 -0.151810 -0.030901 -0.175365 0.100231 -0.125871 -0.155231 0.063617 0.141124 -0.175093 -0.005064 -0.000988 -0.008400 0.013557 -0.017019 -0.026474 0.002412 0.006040 -0.010457 0.022998 0.053312 0.133353 0.033829 -0.040339 0.140682 -0.056180 -0.009860 0.133187 0.004880 0.249771 -0.315774 -0.061403 -0.243483 0.127942 -0.151955 0.193098 0.120872 0.150637 -0.213500 -0.325972 0.252148 -0.000647 0.125938 -0.247730 0.052077 -0.314138 0.011485 0.067206 0.032203 0.120167 0.032445 -0.059542 -0.075954 0.002636 0.036354 0.031613 -0.052399 0.034772 -0.055845 -0.111985 -0.057344 0.050658 -0.047579 0.038672 0.007126 0.037335 -0.004111 0.036195 -0.043756 -0.019499 -0.037579 -0.002367 -0.003091 -0.052814 -0.022378 -0.082501 -0.086277 0.106701 0.158152 0.035222 0.054612 -0.093046 -0.067735 0.023993 0.012451 0.010258 -0.007515 -0.006321 -0.009714 0.073323 0.011496 0.481367 -0.153102 -0.049347 0.373370 -0.117829 0.016879 -0.060485 0.044835 -0.006395 -0.030537 0.001847 0.068083 0.042705 -0.397783 0.017149 0.054288 -0.515741 -0.042272 0.021321 0.112668 0.057904 0.003304 -0.000513 -0.003610 0.108969 -0.001838 -0.055502 0.057129 -0.096987 0.059712 -0.003162 -0.003441 0.000100 -0.079162 0.072918 -0.056100 0.043980 -0.017093 0.014644 -0.039598 -0.036118 -0.001580 -0.010222 0.048572 -0.017023 -0.102374 -0.017014 -0.152677 0.005676 0.010612 0.005206 -0.035424 -0.094391 0.146233 -0.034466 0.028231 -0.014110 -0.061789 -0.051270 0.000761 0.019436 -0.034393 0.016591 0.299886 -0.137161 0.085375 0.179886 -0.135428 -0.006386 0.302629 0.249962 0.000108 0.491221 0.396561 -0.001340 -0.090446 0.178434 0.009208 -0.071234 0.282740 -0.093115 -0.000168 -0.002303 -0.000368 0.001187 0.000920 0.000596 -0.002493 0.000343 0.000419 0.002136 -0.003929 0.001607 0.000957 0.000563 -0.000834 -0.003042 0.002520 -0.001234 0.004427 -0.023024 0.001598 0.029636 0.023217 -0.000784 -0.023125 0.009255 -0.001071 -0.002393 0.006509 -0.001876 -0.004600 -0.003178 0.000524 0.006087 -0.003288 0.001202 0.043662 -0.021985 0.002315 -0.040586 -0.033331 -0.000036 -0.012159 0.047505 -0.002038 -0.255911 0.093276 -0.008591 -0.474231 0.185368 -0.006384 0.385400 0.313137 -0.000648 0.215105 0.174209 -0.000185 0.081797 -0.497693 0.007267 0.039259 -0.277191 0.008364 0.007827 0.042293 0.023139 0.005727 0.002469 -0.002760 0.043858 -0.000982 -0.023657 0.021915 -0.034964 0.024819 -0.000241 -0.002873 -0.001810 -0.030062 0.029493 -0.025010 -0.067948 -0.006130 -0.085890 0.003392 0.007990 0.004810 -0.017212 -0.061091 0.080350 -0.020969 -0.007781 -0.035293 -0.008040 -0.001842 0.004494 -0.013228 -0.020851 0.037989 0.043285 -0.006679 0.026677 0.058080 0.047124 0.002000 0.004248 0.036893 -0.028095 -0.317424 0.160057 -0.050576 0.193664 -0.136603 0.028412 0.342375 0.273146 0.001413 -0.515007 -0.424184 -0.008553 -0.098798 0.174299 -0.029031 0.081783 -0.284157 0.045408 -0.001660 -0.005083 -0.003533 -0.064260 -0.015805 0.034720 0.010711 0.000506 -0.006445 -0.003748 0.008167 -0.004876 0.028750 0.060643 0.033792 -0.010820 0.008970 -0.007863 0.037386 0.014088 0.043751 0.051201 -0.063718 -0.089140 -0.023180 -0.041579 0.053346 -0.002089 -0.007335 -0.003317 0.031175 -0.039647 -0.061287 0.005915 -0.002012 0.001260 -0.066656 0.033848 0.015219 -0.001196 0.009891 -0.033883 -0.018362 0.077630 0.012109 0.544358 -0.191691 0.015588 -0.314895 0.034908 0.011387 0.028708 -0.007982 -0.029542 -0.075260 0.024989 0.097121 0.016223 0.339572 0.007088 0.084093 -0.608773 0.019232 0.021320 0.093352 0.052306 -0.060073 -0.013357 0.032119 -0.092117 -0.001828 0.050585 0.051786 -0.079898 0.056134 0.025329 0.056775 0.031092 0.065142 -0.065353 0.053646 0.037756 0.005411 0.021892 -0.046560 0.058543 0.045998 -0.013438 -0.038004 0.023557 -0.103126 -0.019486 -0.150311 0.056768 -0.071001 -0.104144 0.038799 0.095304 -0.145812 0.038098 -0.003646 -0.033403 0.014032 -0.012803 -0.022710 -0.004719 -0.035245 -0.033972 -0.241861 -0.059457 0.353726 -0.147734 -0.268720 -0.024436 -0.236775 0.283167 -0.028326 -0.105211 0.106197 0.362649 0.287918 0.081329 -0.027132 0.112098 0.209539 0.349433 0.009237 0.034784 0.018721 0.009711 0.002463 -0.004037 0.035269 0.001719 -0.018273 0.018088 -0.024704 0.018036 0.000130 -0.001421 -0.001559 -0.018598 0.021017 -0.016558 0.005743 0.006881 0.036676 0.012864 0.006325 -0.005969 0.009677 0.004396 -0.032984 -0.042701 -0.013527 -0.052461 -0.012973 0.000644 0.008484 -0.022975 -0.036283 0.049895 0.046396 -0.002817 -0.011915 0.061444 0.046968 -0.001719 0.012504 0.032496 0.016197 -0.147572 -0.016914 0.198635 -0.444140 -0.052141 -0.011306 -0.535338 -0.400719 -0.001187 -0.180864 -0.134886 0.025095 -0.209537 -0.299544 0.013899 -0.071167 -0.107884 -0.248014 0.001828 0.004090 0.003075 0.038910 0.006828 -0.019586 -0.012539 -0.001413 0.007327 0.007681 -0.011293 0.006927 -0.015010 -0.037851 -0.019141 0.013828 -0.014895 0.010693 0.001766 -0.007012 0.014681 0.014321 -0.020956 -0.050732 0.004805 -0.004950 0.023565 -0.014490 0.006563 -0.014432 -0.039807 0.051011 0.060381 0.001853 0.024570 -0.026208 0.045028 -0.032955 0.019002 0.005764 -0.021124 -0.015909 0.020808 -0.059956 0.015571 -0.092058 0.112742 -0.213521 -0.426694 0.373962 0.003120 -0.093618 0.240735 -0.018925 -0.037580 0.084053 0.236416 -0.237325 0.586779 0.000240 -0.078181 0.142053 -0.160629 0.005108 0.015651 0.010436 -0.004112 -0.002086 0.000531 0.016863 0.001834 -0.010722 0.011520 -0.016568 0.011509 -0.002904 -0.003721 -0.000505 -0.014120 0.015152 -0.011675 0.006735 -0.010116 0.021087 -0.018237 -0.015029 0.000015 -0.008117 0.009044 -0.021513 -0.026001 0.001714 -0.033268 0.010593 0.008786 0.000013 -0.004087 -0.026686 0.034077 0.002480 -0.042708 0.024812 0.029115 0.023092 -0.000221 -0.041505 0.011676 -0.024265 0.025505 0.136942 -0.440559 0.062465 0.492002 0.015421 -0.202369 -0.159041 -0.000049 -0.053568 -0.041941 0.003620 0.492614 -0.043762 -0.018084 0.140871 -0.003827 0.436815 -0.002677 -0.012908 -0.005813 -0.021610 -0.003406 0.011560 0.013062 -0.000027 -0.005750 -0.004086 0.003515 -0.004944 0.007747 0.020724 0.011222 -0.002471 0.004621 -0.004796 0.000088 -0.021371 -0.012907 -0.009121 0.011697 0.030782 0.020814 -0.004572 -0.012629 0.011053 0.014803 0.016961 0.023405 -0.029209 -0.037538 -0.016753 -0.007657 0.016645 -0.036421 -0.009400 0.010982 0.028904 -0.036028 -0.025368 0.017366 0.033723 0.010984 0.067893 0.051934 -0.236483 0.324692 0.162893 0.011577 -0.349099 0.434693 -0.043811 -0.110521 0.137805 0.494855 -0.232954 -0.285224 0.013792 -0.067807 -0.056771 -0.241113 -0.007286 -0.027373 -0.017287 0.027286 0.004882 -0.015977 0.028064 0.001548 -0.017210 -0.015754 0.022241 -0.018010 -0.010321 -0.026016 -0.015562 -0.018387 0.020038 -0.017738 -0.023623 -0.004826 -0.027203 0.020009 -0.024722 -0.031827 0.009669 0.022311 -0.027268 0.037657 0.008206 0.058002 -0.029435 0.036649 0.054615 -0.015714 -0.035425 0.057624 0.017210 0.046446 -0.015372 0.031707 -0.039404 -0.015260 -0.048887 -0.007356 -0.014781 -0.029335 -0.083015 0.351974 -0.172948 -0.395450 -0.015023 -0.276112 0.341970 -0.035694 -0.067212 0.084305 0.358253 0.419717 0.087423 -0.017633 0.088329 0.012304 0.348288 -0.013268 -0.182447 -0.059139 0.193383 0.082675 -0.066926 -0.182820 0.024795 0.060082 0.075952 -0.168834 0.067968 0.119739 0.174415 0.063349 -0.150836 0.110872 -0.067524 0.011722 -0.062803 0.002622 0.060972 0.049800 -0.000320 -0.059940 0.025036 -0.002574 -0.079885 0.447052 -0.011674 -0.399492 -0.327883 0.004397 0.424642 -0.172783 0.009993 -0.025143 0.004042 -0.000525 0.017906 0.013990 -0.000052 -0.000855 -0.025488 0.000624 0.046990 -0.022696 -0.002454 0.112586 -0.033598 0.001553 -0.094598 -0.075878 0.000065 -0.032476 -0.026719 0.000432 -0.009547 0.115831 -0.001636 -0.012168 0.051390 0.002279 0.008256 0.137209 0.046913 0.228079 0.101525 -0.079863 0.151646 -0.022535 -0.052355 -0.050647 0.118032 -0.044380 0.144991 0.204531 0.075299 0.118353 -0.083908 0.049614 0.005666 0.055461 0.013721 0.081884 0.065679 -0.001171 0.061410 -0.008796 -0.013296 0.048656 -0.325664 -0.007546 -0.476244 -0.390139 0.005876 -0.345521 0.130611 0.007633 -0.031875 -0.040262 -0.017749 -0.027413 -0.019547 -0.000715 -0.048409 -0.021144 0.018776 0.032014 -0.040043 -0.111898 0.097172 0.165869 -0.030116 0.070549 0.046794 -0.000913 0.062500 0.051807 -0.005061 0.192156 0.057098 0.030217 -0.032035 0.034252 0.117287 0.012657 0.226841 0.072081 0.002422 0.001614 0.001819 -0.212799 0.032549 0.068612 -0.092563 0.215228 -0.087209 0.007550 0.011432 0.006887 -0.182222 0.129360 -0.082002 -0.022654 0.089821 -0.010132 -0.008688 0.016254 0.016552 -0.078784 0.040178 -0.010789 0.104246 -0.561865 0.021721 -0.008661 -0.021729 -0.015651 0.501480 -0.208789 0.019833 0.015289 -0.037067 -0.011497 0.032998 -0.042742 0.024075 0.029903 -0.024055 -0.010148 -0.064360 0.008436 -0.073158 -0.015813 0.135470 -0.021387 -0.140636 0.179669 0.027481 0.015846 -0.015029 0.136859 -0.115858 0.046818 -0.018296 0.002507 0.067326 -0.065242 0.000017 -0.000182 -0.000117 -0.000024 -0.000018 -0.000015 0.000173 -0.000052 -0.000118 0.000052 0.000075 0.000155 0.000022 0.000019 -0.000016 -0.000086 -0.000034 0.000154 -0.000920 -0.000824 -0.000491 -0.000057 0.000074 0.000040 0.001003 0.000727 -0.000470 0.000512 0.000495 0.000627 0.000104 -0.000129 -0.000096 -0.000582 -0.000409 0.000625 -0.000955 -0.001500 0.007359 0.012014 -0.014955 -0.073415 0.001757 0.000653 0.007544 0.008471 0.023256 0.011471 0.002794 -0.003310 -0.098456 -0.020596 0.027134 0.961498 -0.123775 0.152397 -0.092003 0.002087 -0.003710 -0.101085 -0.025004 -0.003519 0.011867 -0.000050 0.000049 -0.000133 -0.000066 0.000052 0.000194 0.000057 -0.000081 0.000156 0.000034 -0.000109 0.000057 -0.000006 -0.000095 -0.000187 -0.000133 0.000068 -0.000070 0.000579 -0.000252 0.000257 -0.000645 -0.000826 -0.000097 -0.000096 0.000908 -0.000381 -0.000429 0.000140 -0.000414 0.000178 0.000294 0.000092 0.000027 -0.000590 0.000563 -0.004360 -0.010670 0.045137 0.000542 -0.000071 -0.001471 -0.014687 -0.002826 -0.057336 0.050942 0.137575 0.061338 0.004730 -0.008671 -0.595952 -0.002817 -0.001068 0.018889 -0.002122 0.002807 -0.001408 -0.004222 0.010860 0.757238 0.181940 0.026497 -0.077734 -0.000082 0.000087 -0.000123 -0.000127 -0.000159 0.000007 -0.000058 0.000081 -0.000086 0.000021 -0.000164 0.000062 0.000189 0.000075 -0.000040 0.000127 -0.000041 0.000048 0.001218 -0.000117 0.000564 -0.001305 0.001424 0.000783 -0.000156 -0.001045 0.000481 -0.000619 0.000091 -0.000679 0.000657 -0.000762 -0.000818 0.000052 0.000504 -0.000557 -0.005919 -0.013529 0.057173 -0.001864 0.002391 0.011022 0.011542 0.002512 0.044780 0.062793 0.170341 0.073439 0.010109 -0.009289 -0.751640 0.004118 -0.005849 -0.141500 0.016626 -0.020455 0.010299 0.001350 -0.011365 -0.588867 -0.138795 -0.020011 0.057354 0.000116 -0.000138 0.000181 0.000018 0.000183 0.000115 0.000119 -0.000163 0.000200 -0.000261 -0.000500 -0.000448 -0.000158 0.000020 0.000098 0.000543 0.000154 -0.000451 0.000254 -0.000213 0.000096 0.000082 -0.000085 -0.000048 0.000161 -0.000281 0.000094 -0.000149 0.001082 -0.000070 -0.000003 -0.000050 0.000017 -0.001058 0.000385 -0.000067 0.007099 0.018670 0.012477 -0.043561 0.053637 -0.043594 -0.022465 -0.003436 0.014337 -0.081663 -0.224799 -0.091226 0.000524 -0.002092 -0.062111 -0.001641 0.002369 0.178723 0.517642 -0.637467 0.355246 0.001775 -0.001196 -0.070302 0.269434 0.037921 -0.105875 0.000317 -0.000269 0.000346 -0.000072 -0.000463 -0.000365 -0.000204 0.000389 -0.000364 0.000004 -0.000056 -0.000058 -0.000444 0.000021 0.000347 -0.000007 0.000030 0.000018 -0.000156 -0.000203 -0.000087 -0.000262 -0.000198 0.000000 -0.000233 -0.000149 0.000101 -0.000164 0.000669 -0.000013 0.001000 0.000823 -0.000008 0.000579 -0.000294 0.000005 0.017979 0.049292 0.032372 -0.002168 0.002270 -0.001943 0.054887 0.007723 -0.034504 -0.216302 -0.581782 -0.237646 0.000610 -0.004980 -0.159724 -0.000364 -0.000107 0.007812 0.021710 -0.029569 0.015914 -0.003960 0.002119 0.167449 -0.648284 -0.095601 0.255964 0.000316 -0.000241 0.000362 0.000021 0.000376 0.000283 0.000153 -0.000329 0.000331 0.000136 0.000176 0.000190 -0.000409 0.000060 0.000316 -0.000204 -0.000094 0.000194 -0.000338 -0.000135 -0.000107 0.000192 -0.000253 -0.000061 0.000178 0.000286 -0.000101 -0.000154 0.000249 0.000007 0.000131 -0.000072 0.000031 -0.000158 0.000176 0.000011 0.018340 0.049791 0.031880 0.019647 -0.024204 0.019082 -0.047824 -0.006903 0.029296 -0.212541 -0.574998 -0.236389 0.001109 -0.004245 -0.153554 0.001052 -0.001466 -0.075679 -0.225267 0.277324 -0.156126 0.002687 -0.002143 -0.138690 0.552051 0.080246 -0.219447</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="63">0.00 0.00 0.00 0.00 0.00 0.00 32.05 32.26 52.42 79.09 108.56 108.75 225.19 226.32 306.53 380.22 381.16 429.82 429.99 457.90 497.95 609.85 610.20 611.57 680.70 682.07 772.20 797.31 797.85 818.10 894.71 894.72 916.66 946.89 947.15 981.16 1048.52 1049.17 1200.60 1280.79 1295.54 1296.50 1298.53 1353.94 1354.25 1375.02 1405.21 1406.09 1413.71 1430.44 1430.94 1471.79 1471.85 1496.78 1691.60 1728.44 1729.01 3107.13 3108.11 3113.79 3239.94 3240.17 3241.93</array>
                     <matrix cols="63"
                             dataType="xsd:double"
                             dictRef="cc:displacement"
                             rows="63">0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -0.162659 -0.244284 0.251436 -0.254404 0.175383 -0.216084 0.231962 0.237248 0.241742 0.160142 -0.210203 -0.202134 -0.172384 0.082439 -0.033810 0.168314 0.049730 -0.041782 0.011479 -0.036556 -0.010035 0.009800 -0.033204 0.077463 0.012624 -0.038826 -0.065286 0.003149 -0.178229 0.015007 -0.151800 0.081839 -0.067970 0.150081 0.091089 0.053827 0.007161 0.008983 0.114453 -0.005835 0.000241 -0.136595 0.000132 -0.010386 0.020366 -0.006535 -0.037798 0.228596 0.030099 0.132013 0.119436 -0.086243 0.122035 -0.153164 0.031972 -0.054792 -0.267739 -0.028057 0.022160 0.020434 0.011150 -0.020651 0.041885 -0.240313 -0.004492 0.085046 0.191334 0.104850 0.169644 0.152013 -0.093693 0.114641 -0.284706 -0.007932 0.146988 0.016306 0.306862 -0.272512 0.073117 -0.333621 -0.250214 0.037507 0.008019 -0.078529 0.035796 0.012588 0.031164 0.035891 0.013090 0.052765 -0.177595 -0.001508 0.060926 0.088102 0.154269 -0.028092 0.094525 -0.151217 -0.033917 0.008625 -0.012198 -0.088472 0.007453 0.007743 -0.054689 -0.013057 0.004871 0.146274 0.034185 0.018948 -0.177773 -0.051641 -0.092691 -0.094010 -0.056526 0.033535 -0.061563 0.033713 -0.006548 -0.109221 -0.167818 -0.025204 0.155823 0.049008 0.022133 0.291374 -0.308843 -0.125819 0.247612 0.262433 -0.174119 0.260066 -0.181095 -0.244923 -0.239247 0.325324 -0.043763 -0.237696 -0.116318 0.271312 -0.256743 0.018581 0.316866 0.237144 0.004918 -0.031646 -0.000223 0.024365 0.021155 -0.004990 -0.030069 0.011863 -0.002003 0.008215 -0.075448 0.003661 0.063505 0.044581 -0.000034 -0.071892 0.031171 -0.001548 0.028975 -0.011758 -0.002500 -0.023926 -0.020004 -0.000553 -0.004335 0.030815 -0.004389 0.039677 -0.015004 -0.003958 0.044875 -0.019721 -0.001976 -0.035749 -0.031482 -0.000292 -0.033233 -0.026631 0.000913 -0.005155 0.045337 -0.005006 -0.006910 0.042581 -0.006388 -0.284445 -0.043758 0.081639 0.190405 -0.241643 0.108815 0.110400 0.297922 0.098720 -0.308331 -0.044701 0.094883 0.175451 -0.227341 0.110152 0.100009 0.276804 0.086913 0.010467 -0.001754 -0.114129 -0.002870 0.003208 -0.119564 -0.000108 -0.014158 -0.123774 -0.208864 -0.031952 0.032427 0.129967 -0.166753 0.046511 0.075321 0.201814 0.033882 0.000150 -0.012323 -0.132023 -0.002299 0.004680 -0.136691 0.016332 -0.002590 -0.141049 0.005717 0.000834 -0.166585 -0.011776 -0.048081 -0.132695 -0.025598 0.039871 -0.140468 0.008683 -0.010269 -0.174162 0.063421 0.006470 -0.142968 -0.001757 -0.007863 -0.184514 0.058939 -0.064149 -0.054091 -0.139017 0.305384 -0.115481 0.000456 -0.443254 -0.166068 -0.292224 -0.113657 0.082712 0.141164 -0.027031 0.085310 0.284490 0.326442 0.178236 0.020077 -0.000162 -0.087012 0.009236 -0.010593 0.078905 -0.000011 0.001369 0.004338 -0.077296 -0.063349 -0.010275 0.003710 0.096032 0.007622 0.101870 -0.041353 0.005315 -0.015108 0.001182 -0.011188 -0.034591 0.028638 -0.107210 -0.054515 0.002223 0.108075 0.007240 -0.002698 -0.020857 -0.082580 0.014183 -0.014218 -0.147598 0.107696 -0.123733 0.010538 -0.008032 -0.220354 -0.199761 0.010573 0.116995 -0.000323 0.005558 0.232020 -0.448690 0.079101 0.141740 -0.059632 0.269221 -0.144664 -0.046494 -0.090199 -0.000636 0.268542 0.182656 -0.137944 0.367400 -0.239959 0.178312 -0.065851 -0.145538 -0.025657 0.010372 -0.000019 -0.045045 -0.006027 0.006546 -0.055139 0.005632 0.022496 0.092620 -0.061207 0.093648 -0.009336 0.108269 0.012387 -0.000900 -0.038427 -0.077994 0.011879 -0.017342 -0.059239 -0.125915 0.009524 -0.030689 0.067795 -0.023681 -0.015372 0.051178 0.007327 -0.004777 -0.267341 -0.071700 -0.211368 -0.135137 0.021622 -0.135059 0.079027 -0.000087 0.010695 0.143655 -0.081395 -0.085426 0.058183 -0.001512 0.010261 0.109632 -0.066458 0.098347 -0.116538 -0.046347 0.188757 0.158316 0.040132 0.152082 -0.115970 0.115757 0.135557 0.162620 0.056188 0.068263 -0.051924 0.015900 0.116016 -0.053891 -0.057614 -0.135303 0.116465 0.024305 -0.186107 0.262555 -0.054174 -0.255897 -0.369910 0.002046 0.025426 0.049382 0.001567 0.026077 0.110470 0.006633 0.016696 -0.161206 -0.055108 -0.172123 0.086649 0.046453 -0.128335 -0.051093 -0.047013 -0.066395 -0.024053 -0.011638 -0.130511 -0.048498 -0.166473 -0.292384 0.073136 0.280489 -0.081399 -0.035694 -0.038575 -0.137536 0.045531 -0.141757 0.194424 -0.029333 -0.013466 -0.154014 0.025967 -0.166555 0.000782 -0.132786 -0.086373 -0.025286 -0.033679 -0.078278 0.103582 -0.128486 -0.109339 0.020242 -0.042291 -0.174110 0.093516 0.151881 -0.155852 -0.077845 0.158071 0.251854 -0.016028 -0.350311 0.184806 -0.076647 0.288436 0.144211 0.005835 0.086041 -0.018795 -0.002151 -0.159440 -0.026323 0.007489 0.121979 -0.023317 0.004705 0.034803 0.072154 0.015797 -0.017145 0.122771 -0.084885 -0.057695 0.181736 0.013215 0.085498 0.156703 -0.027894 0.012744 -0.174827 0.141807 -0.024580 0.044453 -0.289810 -0.041744 0.145010 -0.007415 0.038694 0.316850 0.120799 0.069305 0.132432 -0.029735 -0.047121 0.134898 -0.037783 0.175947 -0.034416 0.148689 0.163630 -0.010989 0.144040 -0.173742 -0.114150 -0.090292 -0.170502 0.139703 -0.068673 -0.164526 -0.115015 -0.096464 0.169491 -0.030288 0.192720 -0.007316 -0.151058 -0.123073 0.000545 0.181641 -0.069393 0.006565 -0.007408 0.048084 -0.001577 -0.036122 -0.031215 -0.000067 0.043670 -0.016911 0.001640 -0.187435 0.071715 -0.006682 0.155990 0.126469 -0.001662 0.031184 -0.197999 0.008155 -0.311277 0.118512 -0.010032 -0.187288 0.073431 -0.006594 0.154576 0.129684 -0.002087 0.259169 0.208165 -0.004775 0.028517 -0.200051 0.008428 0.052877 -0.327233 0.015469 -0.015932 0.053793 0.001271 0.060618 -0.015003 -0.080289 -0.027012 -0.054936 0.096005 -0.036717 0.043453 -0.064651 0.054689 0.007293 -0.029242 -0.038002 -0.045415 0.082530 -0.072318 0.056166 0.027140 0.115467 -0.055607 0.065150 -0.075922 -0.170712 -0.091010 -0.039632 0.056141 -0.022517 0.076917 -0.015458 -0.035065 -0.045703 -0.081493 0.060216 0.059769 0.149294 0.130496 -0.083978 0.059334 -0.092926 0.060355 -0.024865 -0.046337 -0.016762 0.026905 0.458105 0.175021 0.484893 0.150888 -0.191887 0.269797 -0.122107 0.041730 0.023019 -0.302237 0.176025 0.054340 -0.057483 -0.005054 0.054561 -0.166377 -0.050494 -0.024971 -0.091951 0.007680 0.057463 0.045090 0.052986 -0.020095 -0.013479 -0.042543 -0.035457 -0.070390 -0.010402 0.063829 0.086049 0.040939 -0.038676 0.049691 -0.168321 -0.046223 0.083073 -0.055070 0.134221 -0.077239 0.050542 -0.055652 -0.014295 -0.079254 -0.036865 -0.054449 -0.013791 0.083408 0.041682 0.052479 -0.038147 0.012966 -0.025271 0.038660 0.021234 0.055529 -0.103895 0.110619 0.146003 0.029767 -0.130048 0.053838 -0.017670 0.081021 0.052693 0.074125 0.026903 0.260327 -0.293810 0.145329 0.024814 0.035881 0.359758 0.489368 0.062261 -0.153636 0.013372 -0.037526 -0.445591 0.053074 0.012045 0.063895 0.047652 -0.073297 -0.122149 0.017515 0.025428 -0.020210 -0.046077 -0.022731 -0.097451 -0.060349 0.065294 0.115493 -0.021815 -0.020318 0.065925 -0.088132 0.039822 0.087645 0.068282 0.038669 0.015523 -0.008062 -0.107883 -0.117826 -0.030572 0.038294 0.005275 0.053367 0.038594 0.000338 0.010950 -0.037466 -0.008113 0.008560 -0.019127 -0.157262 0.024929 0.013897 0.032382 -0.019227 0.020930 0.132314 0.077688 0.110724 -0.480455 -0.091679 -0.385490 -0.180604 0.159474 0.010268 0.043810 0.015283 0.055734 0.105530 -0.361548 0.034209 0.155952 0.108513 0.063638 0.418291 -0.060922 -0.002000 -0.113830 0.017129 -0.007360 0.001907 0.022622 0.073384 -0.125721 0.063277 0.013516 0.082576 -0.015971 0.005410 0.045220 -0.034319 -0.070479 0.109974 -0.062025 -0.067947 0.081548 -0.053943 0.086366 -0.129468 0.080426 0.006719 0.042653 -0.013472 -0.053991 0.007908 -0.010916 0.032439 -0.011584 0.062788 -0.012969 0.004984 0.025237 -0.001113 0.062291 -0.001399 0.006950 -0.167919 -0.007796 -0.019804 0.109008 0.017460 -0.061148 0.194004 0.171853 0.106380 0.075692 -0.242221 0.334673 -0.221749 0.114713 -0.131458 -0.506718 -0.261161 -0.140592 0.132771 0.098399 -0.008971 0.338738 0.025062 0.006888 0.023824 -0.016688 0.017883 0.019083 -0.010636 -0.020929 0.020744 0.024564 0.002736 0.022244 -0.015991 0.022840 0.022992 -0.008209 -0.023920 0.023588 0.001839 0.001892 0.033162 -0.002485 0.004666 0.030886 -0.001766 -0.003660 0.029712 0.014862 0.004077 0.031613 -0.009772 0.014620 0.029672 -0.005857 -0.014773 0.029898 -0.019198 -0.058872 -0.090116 -0.034261 0.042437 -0.091547 0.057653 0.005997 -0.084505 0.036762 0.059326 -0.393432 -0.138803 -0.376590 -0.111827 -0.240969 0.300643 -0.134984 0.057430 -0.072880 -0.379991 0.376379 0.056503 -0.109164 -0.066440 -0.024723 -0.371632 0.074373 -0.025142 0.145859 -0.021273 0.091987 0.143299 0.004950 -0.084379 0.147400 0.064630 0.056647 0.148119 -0.080819 0.036183 0.137285 -0.069008 -0.052238 0.139172 0.228252 0.024827 -0.275517 -0.131148 0.152920 -0.280681 -0.067890 -0.197492 -0.260574 0.121085 0.018469 0.037750 -0.078979 0.092213 0.030864 -0.045032 -0.107496 0.038658 0.029877 0.068836 -0.105604 0.054212 -0.063109 -0.103422 -0.077808 -0.016737 -0.111374 -0.007370 -0.000941 0.095210 0.118436 0.311259 -0.089093 0.206157 -0.261755 -0.070474 -0.003701 0.004424 0.087065 -0.319245 -0.057419 -0.092461 -0.003536 -0.000231 0.078675 -0.019527 0.084377 -0.004820 -0.096976 0.086355 0.166111 -0.094538 -0.058093 0.127494 -0.103668 -0.019607 -0.157407 -0.062750 -0.076069 -0.030560 -0.037460 0.094967 -0.114339 0.030667 -0.046909 0.128048 0.073805 0.025619 -0.111302 0.082395 -0.028960 -0.011047 -0.019908 0.069426 -0.030371 -0.080132 -0.054450 0.025929 -0.106549 0.039858 -0.000382 0.218119 -0.066255 0.003009 0.141956 -0.051200 -0.024957 0.149577 -0.019299 0.037274 0.274805 -0.071989 -0.032505 0.266579 -0.133542 0.002707 -0.026158 0.254439 -0.069009 0.221595 -0.155837 -0.300673 -0.224369 -0.125529 0.067192 0.274346 0.021714 0.352105 -0.108690 -0.089408 -0.182907 -0.083501 -0.025363 0.049009 0.010919 -0.075938 0.093901 0.083278 -0.088049 0.114032 0.045443 -0.104491 -0.140761 -0.069990 -0.035441 0.076035 -0.006113 0.109083 0.055665 0.042069 0.061784 0.073241 0.018750 0.021955 -0.132781 0.017662 -0.137470 -0.007872 -0.067469 -0.064050 -0.015719 -0.010818 -0.005558 0.030655 0.012798 0.164666 -0.044187 0.091731 0.192911 0.017994 0.046086 0.151281 0.012378 0.051617 0.298936 -0.395128 -0.131684 -0.236695 -0.069927 0.281835 0.043242 0.048231 0.072894 0.293651 0.207064 -0.145831 0.205525 0.022643 0.103723 0.175502 0.159684 -0.054729 -0.068635 -0.104195 0.121542 -0.002298 -0.114020 -0.135323 -0.048869 0.144784 0.062114 -0.051516 0.092192 -0.013285 0.132241 0.151132 -0.037691 0.136484 -0.177956 -0.009098 0.071527 0.010514 -0.072029 -0.071007 -0.029853 0.107575 -0.046120 0.024765 0.013433 -0.090835 0.000632 0.098327 0.084943 0.005062 -0.142030 0.056045 -0.009610 -0.193568 0.045208 0.002454 0.204718 0.109317 -0.010534 0.060456 -0.274238 0.016193 -0.334211 0.075600 0.052621 -0.073948 0.071816 0.010102 0.065181 0.138364 -0.024399 0.345470 0.169482 -0.098709 0.009808 -0.210913 0.016506 0.098204 -0.427213 0.054193 -0.120167 0.063700 -0.139491 0.056032 0.090294 0.034909 0.071238 -0.004605 -0.024753 -0.065879 -0.124179 -0.100332 -0.098777 0.063231 0.125044 -0.016782 -0.073005 0.093167 0.190161 0.055781 0.130442 0.044398 -0.149681 -0.082207 -0.052460 0.077378 -0.038261 0.056030 -0.007601 -0.014104 0.057983 0.002420 0.010465 0.060414 -0.008848 0.004979 0.133315 -0.133680 0.068810 -0.023994 0.242274 0.141549 -0.260363 -0.096221 -0.207645 -0.098373 -0.040609 0.045559 0.284799 -0.188084 0.075603 0.076907 0.306586 0.145451 -0.162073 0.117369 0.111223 -0.226940 -0.130533 -0.211284 -0.261752 -0.032646 -0.174265 0.011485 0.070726 0.028443 0.036822 -0.117205 -0.124089 0.037012 -0.130499 0.136495 -0.073207 0.001805 -0.092925 0.105050 0.032281 -0.045476 -0.133209 -0.036623 0.097192 0.062337 -0.069041 0.036188 -0.138244 0.083071 0.088738 0.092970 0.170430 -0.126186 0.004715 0.062223 -0.006022 0.006749 0.057633 -0.013295 0.002310 0.053232 0.010895 -0.147793 -0.229633 0.211675 0.230528 -0.083253 -0.143832 -0.094662 0.166872 -0.057244 -0.075009 -0.246524 0.172743 -0.184347 -0.193177 0.214515 0.307288 0.006494 -0.149005 0.085430 -0.191621 -0.118527 -0.110782 0.325535 -0.064370 -0.054260 -0.079976 -0.041430 0.127062 -0.070755 0.024651 0.000024 0.147155 0.015538 0.048831 -0.137424 0.030660 0.098558 0.108156 0.017790 -0.144346 0.029409 0.019223 -0.129907 -0.069108 0.024823 -0.182519 -0.030381 -0.036048 0.119754 -0.148475 -0.023313 0.069772 0.179733 -0.033702 -0.261632 -0.037845 0.093874 0.160706 -0.190748 0.103128 0.085801 0.230127 0.080470 0.011000 0.011300 -0.133717 0.021350 -0.017753 -0.134498 -0.023251 -0.007118 -0.137886 -0.043895 -0.097948 0.177503 0.123217 0.301741 -0.119038 0.214302 -0.254301 -0.099809 -0.067852 0.091205 0.165798 -0.321349 -0.052499 -0.120341 0.096469 0.022023 0.166358 -0.040544 -0.008956 0.044144 0.081093 -0.064850 0.101984 -0.077635 -0.144148 -0.151449 -0.045495 0.004764 0.034865 0.052713 -0.084791 0.109268 -0.030998 -0.161260 -0.151979 -0.029779 -0.013256 0.032763 0.040791 -0.061235 0.087198 -0.036762 -0.114226 -0.127770 0.143863 0.023947 -0.112984 -0.219718 0.264904 -0.305192 0.183030 0.518148 0.433908 0.025064 0.013469 0.008394 -0.058049 -0.021502 -0.004171 0.023110 -0.071990 0.002383 0.049467 0.038706 -0.065978 -0.016365 -0.091264 -0.000012 -0.005680 -0.083695 0.007503 -0.100023 -0.022625 0.045278 -0.015513 -0.077291 0.005826 0.040344 -0.112784 0.027594 0.146910 0.044518 -0.139240 0.087587 -0.075813 0.123785 0.015573 0.036033 0.042325 0.154125 -0.005518 -0.139953 0.058445 -0.102641 0.118823 0.005286 0.043002 0.033414 0.113200 0.010914 -0.117584 0.059739 -0.062972 0.102631 0.018266 0.026089 0.033144 -0.512273 -0.064415 0.398086 -0.258964 0.299133 -0.350252 -0.051060 -0.127889 -0.108859 0.073836 -0.029304 -0.000773 0.032303 0.045894 -0.007858 -0.022663 -0.026363 0.006425 0.111463 -0.050572 0.015510 0.076464 -0.008111 0.000523 0.084203 -0.022586 0.004198 0.037813 0.087874 0.048814 0.090590 -0.008728 -0.003576 -0.052581 -0.046095 -0.065397 -0.036836 -0.111900 0.137043 0.111164 0.040614 0.128696 0.112592 0.000153 0.126762 -0.071256 0.105047 0.128659 -0.057966 -0.098083 0.132975 -0.090684 0.078116 0.120137 -0.254860 -0.036286 0.103783 0.154793 -0.189293 0.113614 0.085053 0.230017 0.092871 0.245124 0.027416 -0.304297 -0.133997 0.155737 -0.303982 -0.064061 -0.191578 -0.277060 0.029833 0.069865 -0.116355 0.048660 -0.065688 -0.112782 -0.071412 -0.016943 -0.118403 0.002684 0.014467 0.052630 0.058020 0.142649 -0.117038 0.106291 -0.133852 -0.106769 0.000044 -0.005758 0.061098 -0.171822 -0.032428 -0.116294 -0.001424 0.001066 0.069388 0.066714 -0.216771 0.053449 -0.106594 -0.117453 -0.021875 -0.075288 0.040071 -0.012998 -0.004511 0.232394 0.034779 0.126919 0.074602 -0.033564 0.071080 -0.015084 -0.017450 -0.058868 -0.013667 -0.023249 -0.013165 0.040945 0.014398 0.010541 -0.025601 0.009960 -0.140914 -0.029367 -0.199899 -0.066731 0.079702 0.126031 -0.022549 -0.044309 0.067970 0.211963 -0.130822 0.025714 0.095156 0.198160 0.027913 -0.136072 -0.071692 -0.052239 0.440103 -0.227158 0.053387 0.211438 -0.111303 0.027003 0.113452 0.165210 0.033562 0.239794 0.340349 0.064734 -0.078657 -0.061288 -0.057698 -0.154140 -0.125394 -0.108147 0.012916 -0.046890 0.005042 0.114509 0.130102 0.033118 -0.188683 0.105368 -0.050348 0.000675 0.035752 0.011573 -0.154876 -0.094557 0.031635 0.217697 -0.051233 -0.033118 -0.014249 0.018258 -0.004677 0.040672 -0.028438 -0.015623 -0.027829 -0.050590 0.024299 -0.025364 -0.008540 -0.036471 0.073333 -0.095149 -0.146585 -0.054197 -0.127377 0.190053 -0.131331 -0.095100 0.048725 0.203653 0.017022 -0.035991 -0.068099 0.248761 -0.020269 -0.224400 -0.086299 0.102697 -0.108299 -0.042516 0.053457 0.169537 0.049892 -0.042826 0.351975 0.107059 -0.081266 -0.054614 0.241066 -0.020956 -0.113973 0.505703 -0.040813 -0.024472 0.113891 -0.023049 -0.083882 -0.078469 -0.016843 -0.102603 0.044889 -0.022671 0.012094 -0.117225 -0.014375 0.092256 0.067653 -0.020117 0.107424 -0.035841 -0.015503 -0.024934 -0.000581 0.092331 0.011564 -0.013600 0.093441 0.005207 0.022160 0.091740 0.039366 0.009867 0.095301 -0.026166 0.033571 0.091598 -0.014897 -0.030513 0.093448 0.105165 0.261929 -0.154162 0.182441 -0.227151 -0.134718 -0.278331 -0.050106 -0.150002 0.098884 0.251133 -0.105411 0.102933 0.257243 -0.155235 0.178371 -0.223725 -0.136030 0.172369 -0.215409 -0.087175 -0.273474 -0.049648 -0.150868 -0.265554 -0.046472 -0.101095 0.017404 -0.050274 0.000660 -0.015413 -0.026815 -0.002905 0.000254 0.007215 -0.005118 0.004111 0.047937 -0.000323 0.036853 0.025104 0.003060 0.021370 -0.009928 0.005600 0.083750 0.006705 0.026954 0.054932 -0.036268 -0.015266 0.032694 0.011019 -0.005540 -0.065020 -0.014402 -0.054807 -0.027750 0.042775 0.037845 0.000250 -0.018511 0.014785 -0.121868 0.065612 0.040242 -0.050882 -0.092943 0.127943 0.057635 0.039648 -0.172603 -0.166846 0.147090 -0.105956 -0.114378 -0.097673 0.033893 -0.274908 0.258938 0.076256 0.025618 -0.279419 -0.259303 -0.501341 -0.065980 -0.132383 0.282755 0.118249 0.369500 0.007395 -0.001528 0.005223 0.031056 0.031068 -0.004632 -0.045432 0.026776 -0.000546 -0.005120 0.023329 -0.006023 -0.028534 -0.009705 0.003342 0.047242 -0.006365 -0.000099 0.018038 0.030966 0.006222 -0.023291 0.060064 0.014743 0.023641 0.078916 -0.024705 -0.018909 0.003900 -0.015118 0.036159 -0.036021 -0.036313 -0.026713 -0.059336 0.054276 0.050912 0.050014 0.172705 -0.100476 -0.032996 -0.128001 0.037187 -0.130537 -0.042002 0.167096 0.250431 -0.373880 -0.167655 -0.477548 0.139407 0.195846 -0.324900 -0.076623 -0.262272 0.084444 0.259750 -0.125469 -0.091437 -0.033572 0.111026 -0.188081 0.108594 0.023780 -0.094239 -0.003586 0.068618 0.067311 -0.008927 0.086685 -0.041716 -0.004159 -0.006319 0.096327 -0.010769 -0.078985 -0.055499 -0.006465 -0.091918 0.026964 -0.010233 0.104079 0.017679 0.048815 -0.068133 0.082457 0.040460 -0.038516 -0.095450 0.044877 -0.093475 -0.017806 -0.078582 0.062104 -0.076807 -0.071848 0.035741 0.086232 -0.077181 0.058237 0.160359 0.066908 0.102974 -0.128947 0.081616 -0.166757 -0.024047 0.074206 0.116970 0.291938 -0.265136 -0.097167 -0.251348 0.048182 -0.175437 0.219692 0.032504 0.204184 -0.266029 -0.249440 0.279103 0.047490 0.049100 -0.316124 -0.064646 -0.269940 -0.011776 0.048386 0.004876 0.032530 0.027572 -0.006219 0.014352 -0.003549 -0.001227 0.005503 -0.050830 0.008659 -0.032188 -0.021578 -0.005231 -0.009118 0.000064 -0.001770 -0.126325 -0.045560 -0.139794 -0.036893 0.113578 0.102654 0.045807 -0.049074 0.032125 0.060355 0.012433 0.069308 0.032890 -0.041602 -0.051327 0.004958 0.013274 -0.015231 0.046681 -0.025650 0.033670 0.006814 0.051416 0.109199 -0.035204 -0.028548 -0.138912 0.510934 -0.167275 -0.031255 -0.289687 0.031623 0.017134 -0.312543 0.083732 0.077380 0.346651 0.151826 -0.166672 -0.331380 0.032302 -0.117715 0.136041 -0.142466 0.219922 -0.001768 0.019272 0.001448 -0.023431 -0.024329 0.005434 0.049078 -0.022840 -0.005697 -0.001275 -0.013785 0.002681 0.029397 0.024219 0.004292 -0.052079 0.017128 -0.009178 -0.051926 0.051876 -0.048582 0.099238 -0.048047 -0.093205 -0.066440 -0.124313 0.143629 0.019798 0.003225 0.022727 -0.029791 0.036179 0.046178 0.026177 0.061415 -0.072198 -0.028644 -0.029907 0.144483 0.053213 -0.000916 -0.094939 -0.021954 0.048597 -0.045898 -0.058553 0.144335 -0.226075 -0.066180 -0.328937 0.124720 -0.026046 -0.310526 -0.066846 0.267580 0.323112 0.140552 -0.055880 -0.286488 -0.026228 -0.049954 0.525296 0.046787 0.009671 0.021954 0.020676 -0.023263 -0.001087 0.020411 0.022597 0.005064 -0.019887 -0.015673 0.016291 -0.022095 -0.005816 -0.023485 -0.019845 0.012184 -0.018486 0.021068 0.029575 -0.184595 0.007533 0.143620 0.116030 -0.002084 -0.169724 0.064603 -0.005327 0.000343 -0.002992 -0.000041 0.001901 0.002449 -0.000189 -0.002756 0.001260 -0.000220 -0.174904 0.068034 -0.005664 0.144073 0.119248 -0.001991 0.028022 -0.184231 0.007603 0.381274 -0.143997 0.012631 -0.291435 0.109022 -0.010178 0.243111 0.190921 -0.001340 -0.319914 -0.254068 0.003767 0.050431 -0.301215 0.011658 -0.066344 0.404104 -0.016580 -0.003774 -0.046136 -0.019250 0.042757 0.018872 -0.021271 0.047822 -0.005805 -0.020017 -0.017552 0.041121 -0.022502 -0.026817 -0.038418 -0.019658 -0.038265 0.027423 -0.023134 0.151010 0.030467 0.166524 -0.104064 0.127097 0.156658 -0.059793 -0.142870 0.166239 -0.010496 -0.002180 -0.013472 0.007138 -0.008897 -0.012255 0.004151 0.009659 -0.012349 -0.019906 -0.064924 -0.135488 -0.038022 0.045211 -0.139457 0.066533 0.005544 -0.135405 -0.093657 -0.244093 0.311400 0.099587 0.258661 -0.106622 0.178382 -0.221520 -0.087435 -0.169771 0.224991 0.292785 -0.273720 -0.051827 -0.101985 0.257974 0.064873 0.306851 -0.020657 -0.051496 -0.044873 -0.068941 -0.011388 0.049274 0.041583 0.002013 -0.023424 0.043899 -0.054679 0.058123 -0.007490 -0.034363 -0.030368 -0.012055 0.007790 -0.003499 -0.061856 0.448719 -0.008647 0.271533 0.244867 0.013120 -0.079061 0.057910 -0.026262 -0.010141 0.019309 -0.012108 0.022368 -0.000401 -0.022549 -0.012883 -0.018042 0.033249 -0.072430 -0.266990 0.000441 0.024367 -0.216928 0.012130 -0.065533 -0.165753 0.006242 -0.064640 -0.328684 0.136179 0.107922 0.274192 0.023348 -0.112429 0.158230 -0.029077 -0.032426 -0.316344 -0.072945 0.087909 0.050586 -0.010561 -0.063119 -0.295601 -0.031831 0.013466 0.049120 0.030533 -0.024461 0.001432 0.024840 -0.060857 -0.010367 0.048040 -0.000952 -0.006693 -0.004402 -0.024834 -0.064577 -0.044668 -0.043550 0.054854 -0.057266 0.050432 -0.155105 0.028915 0.264167 0.187188 -0.018435 0.438623 -0.162624 0.010917 -0.019120 -0.011478 -0.033273 -0.000613 0.024441 0.024677 0.019815 -0.012388 0.007405 -0.166692 0.005663 -0.005257 -0.215840 0.097823 -0.013221 -0.271538 0.010188 -0.000167 -0.329341 0.056595 0.014999 0.073496 0.034607 0.006809 0.136887 -0.176500 0.033627 -0.267368 0.118320 0.086239 0.274256 0.058144 -0.027824 -0.321068 -0.016939 -0.126085 -0.005952 -0.010773 -0.010233 0.012205 -0.000410 -0.010026 -0.013409 -0.003937 0.011319 0.009388 -0.008573 0.011542 0.002016 0.012272 0.009615 -0.006731 0.011791 -0.012081 -0.012979 0.081039 -0.003379 -0.059791 -0.049416 0.000066 0.084738 -0.031736 0.002166 -0.000054 -0.001395 -0.000404 0.001335 0.000934 0.000418 -0.001060 0.000138 0.000265 0.023424 -0.010274 0.001154 -0.024776 -0.016500 0.000525 -0.008958 0.026791 -0.000713 0.426830 -0.164769 0.015995 -0.308657 0.118380 -0.011156 0.259857 0.207158 0.000240 -0.364351 -0.292140 0.001105 0.057869 -0.327245 0.011837 -0.078683 0.458591 -0.019622 0.005421 0.025955 0.013486 -0.097671 -0.032986 0.047931 0.132062 -0.003505 -0.058448 0.013850 -0.027012 0.014423 0.048799 0.088354 0.045752 -0.095350 0.083880 -0.066504 0.013598 -0.035062 0.003157 -0.038169 0.008588 0.007002 0.025424 0.033560 -0.012567 -0.024095 0.005876 -0.033675 0.061936 -0.065557 -0.113156 -0.046289 -0.097951 0.151643 0.027286 -0.003879 -0.013262 -0.047782 -0.031982 0.012048 0.013685 -0.081286 0.006748 -0.213185 0.039689 0.081637 -0.116246 -0.012583 -0.017284 0.201650 0.112448 0.013814 0.373718 0.254497 -0.071434 -0.060295 0.316970 -0.008210 -0.111816 0.639082 -0.044552 -0.023363 -0.132134 -0.059295 -0.085033 -0.027289 0.043733 -0.040266 0.000113 0.019650 -0.062200 0.112757 -0.068908 0.046320 0.081231 0.040090 0.033073 -0.027810 0.020729 -0.038441 -0.015070 -0.012033 0.004237 0.041430 0.007892 0.029247 -0.025869 0.006144 0.104388 0.024682 0.155028 0.044540 -0.068559 -0.101804 0.004353 0.035831 -0.049417 0.074101 -0.031296 0.007145 0.044834 0.043818 0.009510 -0.004111 -0.018859 -0.015464 -0.596069 0.240729 -0.050296 -0.283146 0.128458 -0.006392 -0.161052 -0.179133 0.012795 -0.366962 -0.337025 -0.059177 0.043787 0.071856 -0.018506 0.020826 0.146607 0.090156 0.000115 -0.002161 0.000183 0.002114 0.001336 0.000010 -0.002034 0.000624 -0.000353 0.000721 -0.002364 0.000124 0.001368 0.001134 -0.000416 -0.001681 0.000630 0.000401 0.005320 -0.031103 0.001726 0.026238 0.020246 -0.001218 -0.032455 0.011867 -0.000376 -0.001167 0.005760 -0.000517 -0.004899 -0.003292 0.000712 0.005595 -0.001790 -0.000196 0.046142 -0.018181 0.001937 -0.037883 -0.031777 -0.000330 -0.007236 0.048687 -0.001644 -0.277396 0.106341 -0.011247 -0.461128 0.177893 -0.016885 0.378857 0.308779 -0.001627 0.234512 0.190496 0.001006 0.074049 -0.474327 0.017716 0.048368 -0.304777 0.010477 0.003064 0.019371 0.010709 0.016251 0.006158 -0.009803 0.008025 -0.001013 -0.004212 0.008365 -0.016709 0.011932 -0.008495 -0.015940 -0.009632 -0.005629 0.005809 -0.004932 -0.056379 -0.012555 -0.089194 -0.028237 0.034761 0.061319 -0.008526 -0.014054 0.025442 0.001139 0.000476 -0.008161 -0.003265 0.001467 0.010486 -0.003020 -0.000958 0.005530 0.021300 -0.006184 0.008593 0.015499 0.007033 0.019478 0.009079 -0.005203 -0.026278 -0.365817 0.160113 -0.044706 0.611191 -0.230417 0.029238 0.383438 0.316693 0.014286 -0.199442 -0.222317 -0.062684 0.007702 -0.170125 -0.014511 0.039509 0.107823 0.075933 -0.000484 0.002744 0.001435 -0.012501 -0.003942 0.007696 0.023535 -0.000808 -0.012683 0.001879 -0.002216 0.002044 0.007228 0.011095 0.007322 -0.017488 0.014550 -0.014067 -0.014277 -0.003766 -0.022063 0.028190 -0.038199 -0.063655 -0.022206 -0.053018 0.088896 0.002472 -0.002039 0.000692 -0.002569 0.000299 -0.004523 -0.000590 -0.002293 0.013205 -0.004391 0.010272 0.026280 0.010000 0.014897 -0.020012 -0.001190 0.023287 -0.007264 0.134967 0.011053 -0.085568 -0.175452 0.058715 0.015067 0.374615 0.279181 -0.015099 -0.255477 -0.151229 0.054302 -0.115512 0.656340 -0.028928 0.074572 -0.395550 0.028672 -0.024890 -0.117201 -0.058840 0.111980 0.032306 -0.060393 0.115222 0.001270 -0.056522 -0.059232 0.099145 -0.067055 -0.053802 -0.104847 -0.057177 -0.081225 0.076675 -0.063150 -0.028421 -0.004445 -0.002750 0.020697 -0.025258 -0.006402 0.013957 0.034675 -0.016272 0.108530 0.023200 0.157861 -0.075465 0.094308 0.148571 -0.044664 -0.102951 0.153448 -0.005889 -0.012428 0.016380 -0.010416 0.009984 0.017947 0.012940 0.001470 0.020431 0.072734 0.122071 -0.342503 0.096909 0.325486 0.025846 0.167181 -0.295630 0.051230 0.129808 -0.111101 -0.340603 -0.327852 -0.082813 0.035324 -0.151937 -0.016972 -0.355196 -0.014553 -0.058665 -0.030135 -0.047581 -0.012894 0.024781 -0.021061 -0.000015 0.009260 -0.032736 0.051574 -0.035253 0.017645 0.038556 0.021323 0.006768 -0.007990 0.007041 0.027103 0.008221 0.006293 0.005940 -0.022680 -0.003710 -0.010165 0.011653 -0.002125 0.058342 0.008601 0.072999 0.036483 -0.031483 -0.051155 0.017271 0.009991 -0.018172 -0.105324 0.034404 -0.002876 -0.072539 -0.037480 0.001479 -0.026928 0.027085 -0.003963 0.474647 -0.161377 -0.040292 0.455391 -0.101425 0.019401 0.385840 0.057924 0.022004 0.320947 0.175834 -0.162896 0.285076 -0.087495 -0.011150 0.095366 -0.119156 0.226750 -0.004538 -0.021915 -0.009947 0.039003 0.009324 -0.021525 -0.060290 -0.002602 0.030046 -0.006869 0.009186 -0.007773 -0.021292 -0.043254 -0.022603 0.043304 -0.043114 0.034357 0.009824 -0.011396 0.002379 -0.020457 0.009557 0.003131 0.013681 0.024946 -0.006351 0.014153 0.015058 0.019725 -0.021990 0.041392 0.049066 0.020801 0.056470 -0.071927 0.017862 -0.031239 0.004387 -0.052799 -0.064303 -0.001164 0.010655 -0.109392 0.003254 -0.082351 0.111227 -0.231041 -0.013587 0.296596 0.009073 0.141319 0.366792 -0.023316 0.244015 0.280682 0.159077 0.003455 0.470454 -0.021455 -0.056474 0.492155 0.045167 0.000873 -0.000407 0.001938 -0.019984 -0.005205 0.010258 0.023184 0.001124 -0.011509 0.002296 -0.005182 0.001396 0.006452 0.016228 0.010248 -0.013589 0.014972 -0.013062 0.003838 -0.026519 0.002293 -0.011459 -0.011556 0.008973 0.009368 -0.006312 -0.009738 -0.004754 0.010123 -0.004438 0.019716 -0.014148 -0.026548 -0.014066 -0.021875 0.031906 -0.029515 -0.030523 0.027619 0.040995 -0.012787 -0.022335 -0.011098 0.038110 -0.004973 0.116278 0.145141 -0.483799 0.242985 0.440707 0.054581 -0.356302 0.266841 -0.074167 -0.160769 0.104701 0.413144 0.090651 -0.168858 -0.000815 0.038053 -0.091620 0.064945 -0.006143 -0.023026 -0.012431 -0.011708 -0.001740 0.008111 -0.006720 -0.001327 0.005478 -0.012600 0.018293 -0.014077 0.007548 0.014892 0.007121 0.008875 -0.008020 0.005330 0.003171 -0.003109 -0.010967 0.017481 0.012867 0.006754 0.023451 -0.007908 0.005250 0.025769 0.006716 0.034432 0.004198 -0.019300 -0.019775 -0.005054 0.013705 -0.014164 -0.027081 0.028340 -0.013280 -0.007722 -0.040489 -0.016388 0.041501 0.012158 0.029632 0.048282 -0.099894 0.211279 0.078655 -0.259529 -0.016575 -0.089843 0.341054 -0.055559 -0.024800 0.154571 0.306870 -0.530926 -0.103118 0.063562 -0.190894 -0.059724 -0.522977 -0.007067 -0.027432 -0.015929 0.027080 0.006449 -0.016321 0.027999 0.001452 -0.015766 -0.015010 0.022671 -0.017841 -0.011690 -0.025689 -0.015619 -0.018852 0.019461 -0.017363 -0.014157 -0.002860 -0.016947 0.009857 -0.011994 -0.016013 0.005790 0.013430 -0.017007 0.032419 0.006968 0.049091 -0.022629 0.028256 0.046497 -0.013478 -0.030815 0.048354 0.017283 0.043302 -0.020290 0.030068 -0.037234 -0.017091 -0.046059 -0.007981 -0.019516 -0.055005 -0.105757 0.374515 -0.145641 -0.385562 -0.045909 -0.256550 0.316743 -0.073103 -0.089445 0.111215 0.365391 0.404480 0.061919 -0.050497 0.118264 0.031788 0.370474 -0.016792 -0.196202 -0.059561 0.178820 0.080581 -0.066273 -0.198172 0.023772 0.060712 0.075717 -0.176322 0.073575 0.114112 0.162316 0.061076 -0.159096 0.113461 -0.072779 0.009436 -0.060156 0.002206 0.047824 0.039306 -0.000451 -0.058559 0.022574 -0.002127 -0.074212 0.469077 -0.017622 -0.369003 -0.305789 0.006356 0.450011 -0.172827 0.015262 -0.020474 0.007456 -0.000698 0.017420 0.013236 -0.000111 0.003775 -0.021677 0.000893 0.052313 -0.020381 0.001838 0.096631 -0.037058 0.003763 -0.079890 -0.064504 -0.000025 -0.043643 -0.036272 0.000242 -0.015740 0.100538 -0.003496 -0.008776 0.057270 -0.002112 -0.004002 -0.058549 -0.015574 0.179643 0.083526 -0.068614 0.257420 -0.034270 -0.079645 0.025663 -0.061354 0.027710 0.113659 0.156726 0.058244 0.206722 -0.143138 0.093054 0.017183 -0.019453 0.013904 0.060702 0.035973 -0.009291 0.087381 -0.029047 -0.000925 -0.031303 0.150327 -0.019317 -0.371720 -0.300283 0.015623 -0.585671 0.222554 -0.015737 -0.032223 -0.002555 -0.006913 -0.037755 0.011384 -0.016389 -0.048060 0.000342 0.020440 0.069720 -0.033444 -0.032629 0.085205 0.024816 -0.003383 0.122563 -0.068571 -0.005660 0.038362 0.043569 -0.085749 0.184591 0.013017 0.018532 -0.017715 -0.017745 0.120906 0.019113 0.264563 0.080675 0.162231 0.076078 -0.059097 -0.070751 0.009695 0.019588 -0.097820 0.236908 -0.097780 0.110257 0.152870 0.059851 -0.064890 0.045260 -0.031680 -0.011313 0.092505 -0.000388 0.043792 0.049871 0.008549 -0.019968 0.022430 -0.013857 0.098229 -0.632113 0.020604 -0.341601 -0.290965 -0.003862 0.169456 -0.072972 0.019210 -0.007732 -0.046624 -0.019904 0.005085 -0.039705 0.017679 -0.006432 -0.030782 0.006147 -0.023697 -0.013275 -0.119102 0.045875 0.176697 -0.021080 -0.047484 0.139693 0.006185 0.047961 0.026171 0.090449 0.032762 0.076313 0.001953 -0.016761 0.075233 0.025876 -0.000038 0.000110 0.000014 -0.000005 0.000119 0.000158 -0.000008 -0.000089 0.000190 -0.000029 -0.000108 -0.000047 -0.000078 -0.000108 -0.000132 -0.000064 0.000079 -0.000178 0.000658 0.000268 0.000289 -0.000061 -0.000992 -0.000247 -0.000612 0.000724 -0.000209 -0.000446 -0.000157 -0.000464 -0.000061 0.000540 0.000412 0.000212 -0.000370 0.000286 -0.001958 -0.004547 0.015930 -0.007715 0.010099 0.033111 -0.019313 -0.005437 -0.062310 0.017187 0.046437 0.023345 0.008212 0.008188 -0.211455 0.030734 -0.042797 -0.446734 0.063679 -0.078013 0.055782 0.047364 0.038511 0.826744 0.186041 0.026082 -0.090590 0.000066 0.000051 0.000193 0.000101 0.000046 -0.000113 -0.000136 0.000066 0.000047 -0.000075 0.000027 -0.000194 -0.000098 0.000023 0.000131 0.000142 0.000014 -0.000081 -0.000146 0.000833 -0.000036 0.000780 -0.000077 -0.000185 -0.000639 -0.000773 0.000361 0.000088 -0.000376 0.000036 -0.000430 0.000156 0.000344 0.000349 0.000504 -0.000590 0.007572 0.014381 -0.052010 -0.011694 0.014237 0.048075 0.004194 0.000786 0.013375 -0.054798 -0.150489 -0.075057 -0.035821 -0.024000 0.689363 0.048724 -0.059490 -0.647397 0.091208 -0.112437 0.079797 -0.010765 -0.005459 -0.177063 -0.039431 -0.005796 0.019122 0.000094 -0.000180 0.000048 0.000114 0.000151 -0.000005 0.000143 -0.000102 0.000013 0.000024 0.000205 0.000009 -0.000182 -0.000063 0.000045 -0.000177 0.000010 0.000027 -0.001603 -0.000225 -0.000672 0.001072 -0.001150 -0.000519 0.000587 0.001325 -0.000562 0.000810 0.000138 0.000938 -0.000546 0.000615 0.000820 -0.000301 -0.000650 0.000797 0.006966 0.013540 -0.048775 0.009835 -0.012367 -0.041235 -0.010944 -0.003070 -0.035377 -0.049358 -0.135084 -0.065441 -0.033370 -0.025389 0.641377 -0.041601 0.053688 0.550762 -0.075060 0.092279 -0.063808 0.029156 0.021938 0.464825 0.099932 0.014085 -0.046974 0.000048 -0.000014 0.000028 -0.000096 -0.000567 -0.000430 -0.000280 0.000484 -0.000489 0.000223 0.000394 0.000346 -0.000092 -0.000021 0.000081 -0.000463 -0.000124 0.000379 -0.000222 0.000007 -0.000118 -0.000194 0.000123 0.000099 -0.000118 -0.000005 0.000020 0.000048 -0.000524 0.000083 0.000641 0.000565 -0.000069 0.001281 -0.000500 0.000032 0.002034 0.006464 0.004473 0.027755 -0.034365 0.033434 0.056447 0.007634 -0.038159 -0.030152 -0.076535 -0.034565 0.000897 0.000716 -0.020868 0.009742 -0.012628 -0.139368 -0.343527 0.420821 -0.272059 0.009069 0.007810 0.171060 -0.683058 -0.096465 0.299480 -0.000392 0.000366 -0.000468 0.000068 0.000279 0.000231 0.000096 -0.000217 0.000193 0.000187 0.000386 0.000341 0.000561 -0.000012 -0.000426 -0.000370 -0.000133 0.000299 0.000036 0.000124 0.000030 -0.000001 0.000145 0.000058 0.000088 0.000261 -0.000150 0.000208 -0.001272 0.000026 -0.000854 -0.000682 -0.000030 0.000195 -0.000022 0.000084 -0.018720 -0.052279 -0.036567 0.024922 -0.030303 0.029553 -0.026265 -0.003264 0.017633 0.231219 0.631548 0.282256 -0.008364 -0.005409 0.169027 0.008727 -0.011006 -0.122403 -0.301844 0.373919 -0.240885 -0.004224 -0.003446 -0.078675 0.315746 0.046776 -0.138797 -0.000353 0.000261 -0.000395 -0.000026 -0.000371 -0.000287 -0.000138 0.000325 -0.000315 -0.000217 -0.000315 -0.000311 0.000465 -0.000053 -0.000367 0.000360 0.000148 -0.000315 0.000408 0.000084 0.000176 -0.000253 0.000323 0.000149 -0.000131 -0.000340 0.000159 0.000114 -0.000090 -0.000062 -0.000159 -0.000011 -0.000071 -0.000059 -0.000076 -0.000059 -0.016750 -0.046786 -0.031658 -0.025298 0.031134 -0.029295 0.039288 0.005302 -0.025590 0.201271 0.549168 0.247410 -0.007111 -0.004936 0.140918 -0.008449 0.010851 0.116468 0.300818 -0.369904 0.240673 0.006217 0.005050 0.109715 -0.460209 -0.065298 0.203561</matrix>
                  </module>
               </property>
               <property dictRef="cc:irspectrum">
                  <module cmlx:templateRef="irspectrum">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="57">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</array>
                     <array dataType="xsd:double" dictRef="cc:frequency" size="57">32.05 32.26 52.42 79.09 108.56 108.75 225.19 226.32 306.53 380.22 381.16 429.82 429.99 457.90 497.95 609.85 610.20 611.57 680.70 682.07 772.20 797.31 797.85 818.10 894.71 894.72 916.66 946.89 947.15 981.16 1048.52 1049.17 1200.60 1280.79 1295.54 1296.50 1298.53 1353.94 1354.25 1375.02 1405.21 1406.09 1413.71 1430.44 1430.94 1471.79 1471.85 1496.78 1691.60 1728.44 1729.01 3107.13 3108.11 3113.79 3239.94 3240.17 3241.93</array>
                     <array dataType="xsd:double" dictRef="o:t2" size="57">0.000079 0.000077 0.000000 0.000686 0.000026 0.000029 0.001297 0.001341 0.000000 0.000000 0.000000 0.000202 0.000193 0.001979 0.001725 0.001729 0.001739 0.000098 0.000114 0.000104 0.000967 0.000121 0.000123 0.007220 0.000030 0.000033 0.001252 0.012184 0.012172 0.007768 0.005676 0.005994 0.000000 0.001388 0.002141 0.002149 0.000003 0.007900 0.007530 0.000000 0.000021 0.000030 0.012584 0.002251 0.002325 0.000404 0.000420 0.007817 0.000004 0.018728 0.019016 0.000020 0.000015 0.000760 0.000219 0.000222 0.000277</array>
                     <matrix cols="3"
                             dataType="xsd:double"
                             dictRef="cc:displacement"
                             rows="57">0.002586 -0.008500 0.000162 0.008341 0.002635 0.000458 0.000008 0.000034 -0.000456 0.000524 -0.000979 -0.026162 0.004883 -0.001594 -0.000318 0.001598 0.005124 -0.000815 -0.005439 -0.035563 0.001509 0.036205 -0.005478 0.000634 0.000100 -0.000084 -0.000003 0.000084 -0.000010 -0.000058 -0.000465 -0.000014 -0.000083 0.009210 0.010657 0.001993 0.010261 -0.009323 0.001119 0.000793 -0.001714 -0.044448 -0.001128 0.001321 0.041498 0.040164 -0.010701 0.001265 0.011902 0.039953 -0.001183 0.005089 -0.008460 0.000312 -0.010649 0.000929 0.000048 -0.000903 -0.010139 0.000594 0.000687 -0.001054 -0.031079 0.001468 0.010745 0.001717 -0.010752 0.001409 -0.002299 0.002553 -0.002424 -0.084895 -0.005415 0.000170 -0.000887 -0.000261 -0.005752 -0.000437 0.001424 -0.000739 -0.035345 -0.109681 0.012008 -0.003207 -0.011964 -0.109636 0.002976 0.001778 -0.003047 -0.088064 0.074343 -0.012025 0.002121 0.012189 0.076419 -0.002442 -0.000415 0.000501 -0.000084 0.001092 -0.001048 -0.037219 -0.008069 -0.045547 0.001187 -0.045636 0.008020 -0.001438 -0.001749 -0.000007 0.000145 -0.004877 -0.088693 0.003096 0.086638 -0.004553 0.001858 -0.000264 0.000411 0.000013 0.002983 0.000012 0.003464 0.000220 0.003931 0.003758 -0.003193 0.003115 0.112090 0.047114 -0.005427 0.001363 0.005518 0.047882 -0.001486 -0.000911 0.020077 -0.000713 -0.020483 -0.000854 -0.000443 -0.002317 0.002708 0.088339 0.001059 -0.001460 0.000600 -0.136463 0.009945 -0.002658 -0.010117 -0.137437 0.004982 -0.003402 0.000019 -0.002930 -0.000012 0.003197 0.002271 0.001043 -0.000635 -0.027538 -0.014407 0.003358 0.000148 0.003328 0.014378 -0.002006 0.000267 0.001692 0.016569</matrix>
                  </module>
               </property>
            </propertyList>
            <molecule id="molecule">
               <atomArray>
                  <atom elementType="O"
                        id="a1"
                        x3="0.358201"
                        y3="0.036348"
                        z3="-0.278641"/>
                  <atom elementType="O"
                        id="a2"
                        x3="4.962476"
                        y3="0.267612"
                        z3="-0.178957"/>
                  <atom elementType="O"
                        id="a3"
                        x3="4.481177"
                        y3="3.403256"
                        z3="-0.274924"/>
                  <atom elementType="O"
                        id="a4"
                        x3="0.020762"
                        y3="2.166703"
                        z3="-0.359444"/>
                  <atom elementType="O"
                        id="a5"
                        x3="3.30085"
                        y3="-1.109838"
                        z3="-0.147676"/>
                  <atom elementType="O"
                        id="a6"
                        x3="2.467217"
                        y3="4.177059"
                        z3="-0.343088"/>
                  <atom elementType="N"
                        id="a7"
                        x3="1.177336"
                        y3="1.320991"
                        z3="1.341585"/>
                  <atom elementType="N"
                        id="a8"
                        x3="3.43209"
                        y3="0.457279"
                        z3="1.423688"/>
                  <atom elementType="N"
                        id="a9"
                        x3="3.054004"
                        y3="2.841582"
                        z3="1.334267"/>
                  <atom elementType="N"
                        id="a10"
                        x3="0.484445"
                        y3="1.165234"
                        z3="0.129139"/>
                  <atom elementType="N"
                        id="a11"
                        x3="3.92459"
                        y3="-0.161758"
                        z3="0.263049"/>
                  <atom elementType="N"
                        id="a12"
                        x3="3.350436"
                        y3="3.50707"
                        z3="0.134351"/>
                  <atom elementType="C"
                        id="a13"
                        x3="2.038677"
                        y3="0.231255"
                        z3="1.770517"/>
                  <atom elementType="C"
                        id="a14"
                        x3="1.654736"
                        y3="2.652134"
                        z3="1.678127"/>
                  <atom elementType="C"
                        id="a15"
                        x3="3.945773"
                        y3="1.775199"
                        z3="1.758117"/>
                  <atom elementType="H"
                        id="a16"
                        x3="1.696804"
                        y3="-0.703106"
                        z3="1.343893"/>
                  <atom elementType="H"
                        id="a17"
                        x3="1.981495"
                        y3="0.187998"
                        z3="2.859339"/>
                  <atom elementType="H"
                        id="a18"
                        x3="1.572441"
                        y3="2.756826"
                        z3="2.761211"/>
                  <atom elementType="H"
                        id="a19"
                        x3="1.046949"
                        y3="3.400634"
                        z3="1.185869"/>
                  <atom elementType="H"
                        id="a20"
                        x3="4.01278"
                        y3="1.825812"
                        z3="2.846206"/>
                  <atom elementType="H"
                        id="a21"
                        x3="4.925585"
                        y3="1.91461"
                        z3="1.31935"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a10" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a3 a12" order="S"/>
                  <bond atomRefs2="a4 a10" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a7 a13" order="S"/>
                  <bond atomRefs2="a7 a14" order="S"/>
                  <bond atomRefs2="a7 a10" order="S"/>
                  <bond atomRefs2="a8 a13" order="S"/>
                  <bond atomRefs2="a8 a15" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a9 a14" order="S"/>
                  <bond atomRefs2="a9 a15" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
               </bondArray>
               <formula concise="C3H6N6O6">
                  <atomArray count="3 6 6 6" elementType="C H N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">216.06869999999992</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,7,8,9,10,11,12,1,4,2,5,3,6/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12,13,14,15)/CRV:10.1,11.1,12.1,13.1,14.1,15.1/rA:21O1O1O1O1O1O1NNNNNNCCCHHHHHH/rB:;;;;;;;;s1s4s7;s2s5s8;s3s6s9;s7s8;s7s9;s8s9;s13;s13;s14;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;</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">-897.95809240</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:nucrepener" units="nonsi:hartree">1172.00396348</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:electener" units="nonsi:hartree">-2069.96205589</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:oneelecener"
                          units="nonsi:hartree">-3553.82418983</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:twoeener" units="nonsi:hartree">1483.86213395</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-1792.68220574</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:kineticenergy"
                          units="nonsi:hartree">894.72411334</scalar>
                  <scalar dataType="xsd:double" dictRef="o:vircoeff">2.00361450</scalar>
                  <list id="dftcomponents">
                     <scalar dataType="xsd:double" dictRef="cc:alphae">56.999983159734</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:betae">56.999983159734</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:totale">113.999966319469</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:exchangeener"
                             units="nonsi:hartree">-73.833152350398</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:correlationener"
                             units="nonsi:hartree">-5.016832439853</scalar>
                     <scalar dataType="xsd:double" dictRef="o:xcener" units="nonsi:hartree">-78.849984790251</scalar>
                  </list>
               </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">222.12</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-897.84285120</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-897.84190699</scalar>
               </module>
               <module cmlx:templateRef="gibbs" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-897.84190699</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalentropycorr"
                          units="nonsi:hartree">-0.05152056</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsenthalpy"
                          units="nonsi:hartree">-897.89342755</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsminuselec"
                          units="nonsi:hartree">0.10742749</scalar>
               </module>
               <module cmlx:templateRef="orbitalenergies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="orbital">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="549">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 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="549">2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="549"
                            units="nonsi:electronvolt">-524.4130 -524.4122 -524.4078 -524.4056 -524.4002 -524.3991 -400.3377 -400.3366 -400.3358 -395.1538 -395.1517 -395.1496 -282.9227 -282.9214 -282.9208 -38.7740 -38.6929 -38.6889 -33.6088 -33.6015 -33.5427 -32.7411 -30.6254 -30.6233 -25.4836 -25.2079 -25.2069 -21.7272 -21.7234 -20.3624 -20.0573 -19.4266 -19.4192 -19.2747 -19.2701 -19.0982 -18.9919 -18.1269 -18.1208 -17.2139 -16.7427 -16.6532 -16.6480 -15.2694 -15.2655 -13.7606 -12.7143 -12.7075 -12.2843 -12.2733 -12.0571 -11.9999 -11.9421 -11.9293 -11.6959 -11.3305 -11.3240 0.0386 0.5586 0.5616 1.9943 3.4839 3.6883 3.6976 4.1523 4.1627 4.7007 4.7329 4.7375 4.8032 6.2281 6.2614 6.2716 7.0051 7.0348 7.2669 7.9824 7.9942 8.1099 8.1127 8.7715 8.7760 8.9613 9.0380 9.6120 10.6118 10.6170 11.0996 11.3626 11.5051 11.5068 11.8155 11.8216 12.5320 12.5597 12.6660 12.8507 13.2086 13.2120 13.3722 14.0705 14.1791 14.1894 14.4597 14.6053 14.6142 15.0345 15.2977 15.3236 15.4668 15.5318 15.5407 16.1323 16.2698 16.2726 16.5902 16.5996 16.6516 17.1012 17.5710 17.5952 17.8854 18.2035 18.2370 18.4714 18.4854 18.5157 19.3312 19.3782 20.2826 20.4415 20.9284 21.2074 21.2346 21.3527 21.5064 21.5232 21.8828 21.8843 22.8381 22.8975 23.4629 25.1390 25.1759 25.4988 25.5984 26.6313 26.6398 26.7795 26.8252 27.0713 27.1385 30.1526 30.1668 30.3701 30.4316 30.9583 31.1660 31.1921 31.3400 31.9887 32.0553 32.0620 32.6933 33.0817 33.1003 34.0296 34.2096 34.2328 34.9067 35.4022 35.4200 35.5121 36.2895 36.3062 36.9224 37.4111 37.4122 37.6967 38.3203 38.3345 39.5065 39.8953 39.9313 40.9442 41.1669 41.1836 42.0650 42.0696 42.0966 42.4092 42.4195 42.8972 43.3919 43.5775 43.6442 43.6930 44.8936 45.0933 45.1500 45.1874 45.9353 45.9471 46.7011 46.7559 47.4857 47.5352 48.8357 48.8708 49.1068 49.7020 49.7443 50.2682 50.3554 50.6701 50.9668 50.9698 51.2287 51.2973 52.6596 53.2392 53.2602 54.3997 54.4290 54.9294 54.9775 56.7811 56.8160 56.9822 57.7028 57.7084 58.0353 58.7966 58.7969 60.2642 60.3709 60.4054 60.9590 60.9967 61.0076 61.9826 62.0104 62.0702 63.0766 63.0922 63.9523 63.9596 64.3034 64.7209 64.7222 64.9383 65.7410 68.1819 68.2739 68.3394 68.7715 69.3901 69.4021 69.4542 69.8073 69.8133 72.1747 72.2099 72.3414 72.7384 74.2507 74.4610 74.4990 74.9237 74.9505 76.0580 76.1582 76.3508 76.6936 76.7089 77.2247 77.6335 77.8856 77.9317 78.3608 78.5483 78.5658 78.8647 78.8878 79.1208 79.5451 79.5504 81.4143 81.9404 83.2937 83.6056 83.6249 84.1853 84.2386 85.5792 85.9489 86.0990 86.5513 86.9226 86.9241 87.7257 88.2534 88.2805 88.3258 88.3853 88.4252 90.0210 90.3843 90.4068 90.8197 91.3674 91.9209 91.9503 93.2609 93.3043 93.5213 93.5729 94.4203 94.4253 96.3822 96.3895 97.3116 97.4381 97.4664 99.1433 99.1737 99.2702 99.6073 100.2559 100.6533 100.7176 101.2486 101.2930 102.7164 102.7795 102.7841 103.0138 103.1034 103.8936 104.1593 104.7482 104.7943 105.5353 105.9006 106.0652 106.0781 108.0936 108.0979 108.5441 108.5865 109.8029 110.3959 110.6673 110.7165 111.7908 111.8256 112.0914 112.2195 112.5969 112.6940 113.2309 113.9823 114.8522 114.8659 115.3139 115.5980 115.6310 115.9284 116.6712 116.7262 118.5308 118.5571 120.3655 121.1585 121.2255 121.9690 122.2559 122.2843 122.6625 123.3836 125.1962 125.2044 125.8636 125.9495 125.9957 126.2532 126.7387 126.7605 128.3260 128.3970 128.8813 128.9418 129.2728 129.4381 129.4788 130.4981 131.2897 131.2983 131.8526 131.9018 132.5613 132.9836 132.9877 135.3626 135.3892 135.8557 136.4776 136.5214 136.8767 137.1604 137.1883 137.2176 139.4921 139.5265 139.6256 140.3648 140.3895 140.6302 140.6919 140.7247 140.7407 141.1156 141.7796 141.7808 142.0268 142.1885 142.2350 142.2491 142.5628 142.5700 142.9018 142.9518 143.5837 144.0453 144.1382 144.1534 144.4708 144.4741 145.5493 145.7112 145.7429 146.8283 147.3087 147.3111 148.1461 148.3754 148.3856 148.5485 148.5815 149.1489 150.0353 150.0793 150.2987 150.8251 152.3184 152.3446 152.9803 153.3174 153.3235 153.6957 153.7416 155.7157 155.7164 156.0571 156.1081 156.5367 157.6561 157.6792 158.0554 158.9514 158.9608 159.5292 159.8035 159.8582 159.9956 160.3453 160.3736 161.7700 163.2148 163.2327 165.5039 166.2653 166.3479 167.0796 168.3125 168.3341 172.2390 173.2568 173.2780 175.0190 175.0644 175.2383 176.2389 177.1571 177.1716 177.3865 177.5624 177.5850 178.0324 178.9102 178.9407 180.1956 180.2801 180.2968 186.1307 187.3188 187.3654 189.0458 189.0594 189.3635 189.5313 189.6470 189.6506 189.9964 190.0064 190.0497 191.9829 191.9897 191.9967 196.3266 196.9129 196.9169 201.0984 201.1259 202.0571 202.8311 203.0051 203.0135 204.9553 205.0788 205.0794 206.9822 207.1175 207.1397 638.8920 639.5550 639.6121 883.1705 883.2673 883.2996 889.9161 897.4875 897.6340 1199.1467 1200.7748 1200.9232 1202.6548 1202.9492 1203.0761</array>
                  </list>
               </module>
               <module cmlx:templateRef="mullikenpopulation" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="atomiccharges">
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-0.0000000</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="21">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="21">O O O O O O N N N N N N C C C H H H H H H</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="21">-0.286539 -0.286915 -0.287288 -0.286620 -0.286816 -0.287221 -0.048428 -0.049476 -0.050438 0.428897 0.429510 0.430031 -0.125023 -0.124008 -0.123163 0.176889 0.141228 0.141300 0.176512 0.141593 0.175975</array>
                  </module>
               </module>
               <module cmlx:templateRef="loewdin" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="21">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="21">O O O O O O N N N N N N C C C H H H H H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="21">-0.004155 -0.004565 -0.004688 -0.004084 -0.004207 -0.004756 0.167978 0.168233 0.168558 -0.098813 -0.098735 -0.098749 -0.110516 -0.110366 -0.110115 0.019778 0.030027 0.029937 0.019709 0.029872 0.019658</array>
               </module>
               <module cmlx:templateRef="mayer" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="21">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="21">O O O O O O N N N N N N C C C H H H H H H</array>
                     <array dataType="xsd:double" dictRef="o:na" size="21">8.2865 8.2869 8.2873 8.2866 8.2868 8.2872 7.0484 7.0495 7.0504 6.5711 6.5705 6.5700 6.1250 6.1240 6.1232 0.8231 0.8588 0.8587 0.8235 0.8584 0.8240</array>
                     <array dataType="xsd:double" dictRef="o:za" size="21">8.0000 8.0000 8.0000 8.0000 8.0000 8.0000 7.0000 7.0000 7.0000 7.0000 7.0000 7.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="21">-0.2865 -0.2869 -0.2873 -0.2866 -0.2868 -0.2872 -0.0484 -0.0495 -0.0504 0.4289 0.4295 0.4300 -0.1250 -0.1240 -0.1232 0.1769 0.1412 0.1413 0.1765 0.1416 0.1760</array>
                     <array dataType="xsd:double" dictRef="o:va" size="21">2.0000 2.0001 2.0001 2.0003 2.0001 1.9997 2.9305 2.9325 2.9345 4.4768 4.4770 4.4772 4.0510 4.0491 4.0469 1.0232 0.9945 0.9944 1.0235 0.9942 1.0240</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="21">2.0000 2.0001 2.0001 2.0003 2.0001 1.9997 2.9305 2.9325 2.9345 4.4768 4.4770 4.4772 4.0510 4.0491 4.0469 1.0232 0.9945 0.9944 1.0235 0.9942 1.0240</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="21">-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 0.0000</array>
                  </module>
                  <module cmlx:templateRef="bonds">
                     <array dataType="xsd:double" dictRef="x:distance" size="24">0.1630 1.7099 0.1627 1.7103 0.1623 1.7104 1.7100 1.7100 1.7101 0.9925 0.9481 0.9477 0.9929 0.9488 0.9479 0.9938 0.9490 0.9485 0.9465 0.9910 0.9911 0.9462 0.9913 0.9458</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="24">0 3 0 9 1 4 1 10 2 5 2 11 3 9 4 10 5 11 6 9 6 12 6 13 7 10 7 12 7 14 8 11 8 13 8 14 12 15 12 16 13 17 13 18 14 19 14 20</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="dftd3" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispcorr" units="nonsi:hartree">-0.042675277</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-898.003258123004</scalar>
               </module>
               <module cmlx:templateRef="electricproperties" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="9">-0.21497 0.13934 -0.07563 0.27674 -0.18705 0.08969 8.59386 -5.71074 2.88312</array>
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="30">959.16751 -1028.92121 -0.06826 -0.99716 .03193 973.07369 -1043.10629 -0.99739 0.06745 -0.02570 327.72303 -387.87499 -0.02 0.03 0.99 1.49039 -1.51755 3 3 9 15.86121 -16.08625 4 6 1 -20.80521 21.13742 7 0 6</array>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:au">2.88551</scalar>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:debye">7.33438</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">222.12</scalar>
               </module>
               <module cmlx:templateRef="innerenergy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="contributions">
                     <scalar dataType="xsd:double" dictRef="o:electronic" units="nonsi:hartree">-898.00325812</scalar>
                     <scalar dataType="xsd:double" dictRef="o:zeropoint" units="nonsi:hartree">0.14577806</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermalvibcorrection"
                             units="nonsi:hartree">0.00946474</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">-897.84518278</scalar>
                  </module>
                  <module cmlx:templateRef="corrections">
                     <scalar dataType="xsd:double" dictRef="o:thermalcorr" units="nonsi:hartree">0.01229728</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:nonthermalcorr"
                             units="nonsi:hartree">0.14577806</scalar>
                     <scalar dataType="xsd:double" dictRef="o:totalcorr" units="nonsi:hartree">0.15807534</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-897.84518278</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-897.84423857</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
