<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:g="http://www.iochem-bd.org/dictionary/gaussian/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="grrm.log">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module cmlx:templateRef="final-geometry"/>
         <module cmlx:templateRef="frequencies"/>
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar cmlx:templateRef="program.name" dataType="xsd:string">GRRM</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:integer">23</scalar>
               </parameter>
               <parameter dictRef="cc:programDate">
                  <scalar dataType="xsd:string">January 23, 2023</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:jobtype">
                  <scalar dataType="xsd:string">MIN</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">UwB97XD</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">Def2SVP scrf=(cpcm,solvent=acetonitrile)</scalar>
               </parameter>
               <parameter dictRef="cc:charge">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="cc:multiplicity">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">1</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.02336758"
                              y3="0.58230715"
                              z3="-0.0000006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.58368366"
                              y3="-1.59317517"
                              z3="-0.00000024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.77105343"
                              y3="-1.51691955"
                              z3="0.00000106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.09597199"
                              y3="-0.17499581"
                              z3="0.00000018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.05103106"
                              y3="-0.29772688"
                              z3="-0.00000074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.44867683"
                              y3="0.09435355"
                              z3="0.00000005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.46317803"
                              y3="0.31512698"
                              z3="-0.00000002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.67130635"
                              y3="0.69474922"
                              z3="-0.89151688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.06873944"
                              y3="-0.80828504"
                              z3="0.00000592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.67130219"
                              y3="0.6947579"
                              z3="0.89151226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.9884411"
                              y3="-0.04315506"
                              z3="0.89527977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.44143464"
                              y3="1.41134447"
                              z3="-0.00002287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.98845217"
                              y3="-0.04319299"
                              z3="-0.89525811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52752206"
                              y3="-2.29556373"
                              z3="0.00000503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.24977851"
                              y3="-2.45024063"
                              z3="-0.00000255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.24171745"
                              y3="2.15379696"
                              z3="0.00000013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.80941221"
                              y3="2.52223119"
                              z3="-1.02701928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.80940514"
                              y3="2.52223045"
                              z3="1.02702387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.0234,.5823,0;-.5837,-1.5932,0;.7711,-1.5169,0;1.096,-.175,0;-1.051,-.2977,0;-2.4487,.0944,0;2.4632,.3151,0;-2.6713,.6947,-.8915;-3.0687,-.8083,0;-2.6713,.6948,.8915;2.9884,-.0432,.8953;2.4414,1.4113,0;2.9885,-.0432,-.8953;1.5275,-2.2956,0;-1.2498,-2.4502,0;-.2417,2.1538,0;-.8094,2.5222,-1.027;-.8094,2.5222,1.027;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.504925351822</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.752534002456</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008587947871 0.002549421807 0.070379002909 0.019626421605</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.000448610 -0.000056719 0.000268532 0.002424892 0.006960013 0.006998053 0.008857201 0.010100666 0.021992362 0.036618169 0.037270198 0.037486065 0.042734704 0.055631186 0.060278409 0.068392556 0.075830215 0.083877749 0.095376125 0.097319658 0.100144789 0.108159943 0.120546523 0.125368089 0.137184884 0.166097420 0.194566522 0.215998290 0.255936235 0.259026880 0.299453562 0.323095109 0.334311748 0.422595951 0.480549245 0.535273477 0.628392393 0.766656674 0.835831148 0.883640450 0.886054054 0.896487735 0.926429361 1.091291767 1.113738537 1.147026148 1.153485899 1.501396508</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">2</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.03842289"
                              y3="0.57211643"
                              z3="-0.00000067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.58605178"
                              y3="-1.60733407"
                              z3="0.00000002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.76887076"
                              y3="-1.52301068"
                              z3="0.00000118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.08580326"
                              y3="-0.17970571"
                              z3="0.00000027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.06023622"
                              y3="-0.31438379"
                              z3="-0.00000091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.45838359"
                              y3="0.07664015"
                              z3="-0.0000003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.44807639"
                              y3="0.32432591"
                              z3="0.00000045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.67986204"
                              y3="0.67713509"
                              z3="-0.89165403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.07942375"
                              y3="-0.82536529"
                              z3="0.00000546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.67985819"
                              y3="0.67714362"
                              z3="0.89164864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.9779285"
                              y3="-0.02702735"
                              z3="0.89539409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.40913606"
                              y3="1.42098102"
                              z3="-0.00002155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.97794021"
                              y3="-0.02706353"
                              z3="-0.89537198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.5295218"
                              y3="-2.29781907"
                              z3="0.00000286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.24657378"
                              y3="-2.46889673"
                              z3="-0.00000074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.24276774"
                              y3="2.14537722"
                              z3="-0.00000058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.73903789"
                              y3="2.57226425"
                              z3="-1.0445052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.73902614"
                              y3="2.57226552"
                              z3="1.04451001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.0384,.5721,0;-.5861,-1.6073,0;.7689,-1.523,0;1.0858,-.1797,0;-1.0602,-.3144,0;-2.4584,.0766,0;2.4481,.3243,0;-2.6799,.6771,-.8917;-3.0794,-.8254,0;-2.6799,.6771,.8916;2.9779,-.027,.8954;2.4091,1.421,0;2.9779,-.0271,-.8954;1.5295,-2.2978,0;-1.2466,-2.4689,0;-.2428,2.1454,0;-.739,2.5723,-1.0445;-.739,2.5723,1.0445;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.506314467998</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.752711940373</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008162583957 0.001808148644 0.108883138743 0.028306898886</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.000445972 -0.000056726 0.000268267 0.002425458 0.006471213 0.006961009 0.008858149 0.010100685 0.021706990 0.037233262 0.037268016 0.037485965 0.042799171 0.055693987 0.059218284 0.068391856 0.073700760 0.083744838 0.095375603 0.097319651 0.100500171 0.108211875 0.120437963 0.125364591 0.137184390 0.155757984 0.194585221 0.215703848 0.255936250 0.258853346 0.299447120 0.308288009 0.334112040 0.420017320 0.480449497 0.535270925 0.628372903 0.766629065 0.835836976 0.883640432 0.886053481 0.896487561 0.926486567 1.091295549 1.113717534 1.146963401 1.153478735 1.501392110</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">3</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.05572971"
                              y3="0.56391994"
                              z3="-0.00000265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.59207524"
                              y3="-1.61965813"
                              z3="-0.00000079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.7627325"
                              y3="-1.52888603"
                              z3="0.00000209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.07133993"
                              y3="-0.18463074"
                              z3="0.00000076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.07351044"
                              y3="-0.32874904"
                              z3="-0.00000375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.47582984"
                              y3="0.04894682"
                              z3="-0.0000028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.42519318"
                              y3="0.33955522"
                              z3="0.00000179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.7047362"
                              y3="0.64490837"
                              z3="-0.89269958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.08829199"
                              y3="-0.85945297"
                              z3="0.00000598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.70473036"
                              y3="0.64492144"
                              z3="0.89268677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.96089455"
                              y3="0.00000322"
                              z3="0.89634199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.3595972"
                              y3="1.43612568"
                              z3="-0.00001841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.96090731"
                              y3="-0.00002983"
                              z3="-0.89631827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52690256"
                              y3="-2.30037008"
                              z3="0.00000417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.24656065"
                              y3="-2.48624162"
                              z3="-0.00000053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.21813537"
                              y3="2.14213509"
                              z3="-0.00000432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.63019144"
                              y3="2.62756714"
                              z3="-1.05352064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.630143"
                              y3="2.62757852"
                              z3="1.05353518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.0557,.5639,0;-.5921,-1.6197,0;.7627,-1.5289,0;1.0713,-.1846,0;-1.0735,-.3287,0;-2.4758,.0489,0;2.4252,.3396,0;-2.7047,.6449,-.8927;-3.0883,-.8595,0;-2.7047,.6449,.8927;2.9609,0,.8963;2.3596,1.4361,0;2.9609,0,-.8963;1.5269,-2.3004,0;-1.2466,-2.4862,0;-.2181,2.1421,0;-.6302,2.6276,-1.0535;-.6301,2.6276,1.0535;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.507273355659</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.752897804957</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008201836107 0.001512398564 0.152942470390 0.028871617911</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.000441289 -0.000056898 0.000268235 0.002425738 0.005554275 0.006961467 0.008880643 0.010100869 0.021606631 0.037261461 0.037485606 0.037507109 0.042843921 0.055747950 0.058601737 0.068389419 0.072851212 0.083766889 0.095373527 0.097319557 0.100572226 0.108199915 0.120481123 0.125358596 0.137181975 0.150538033 0.194592438 0.215272526 0.255935992 0.258820696 0.286079728 0.299432796 0.334117381 0.415218527 0.480269092 0.534494814 0.628416099 0.766421403 0.835843932 0.883639113 0.886051749 0.896489918 0.926390168 1.091317099 1.113731153 1.146903246 1.153492426 1.501384574</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">4</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.06536777"
                              y3="0.56288041"
                              z3="0.01000285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.59544674"
                              y3="-1.62275099"
                              z3="0.01130597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.75913211"
                              y3="-1.52864661"
                              z3="0.00217122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.06354446"
                              y3="-0.18402295"
                              z3="0.00187183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.0809387"
                              y3="-0.33329105"
                              z3="0.01644134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.48627046"
                              y3="0.03366118"
                              z3="0.0135227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.41379929"
                              y3="0.34773257"
                              z3="-0.00424894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.70944022"
                              y3="0.65472128"
                              z3="-0.86374856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.09079789"
                              y3="-0.88030829"
                              z3="-0.02323236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.73266123"
                              y3="0.59867733"
                              z3="0.92249026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.96630769"
                              y3="-0.02459573"
                              z3="0.86862892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.33766236"
                              y3="1.44347024"
                              z3="0.04225277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.93624088"
                              y3="0.05020983"
                              z3="-0.92483849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52511843"
                              y3="-2.29832514"
                              z3="-0.00323001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.24724732"
                              y3="-2.49140616"
                              z3="0.01353547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.20949642"
                              y3="2.1421025"
                              z3="0.00710538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.47724897"
                              y3="2.66508429"
                              z3="-1.10065812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.6592565"
                              y3="2.6324503"
                              z3="1.01063477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.0654,.5629,.01;-.5954,-1.6228,.0113;.7591,-1.5286,.0022;1.0635,-.184,.0019;-1.0809,-.3333,.0164;-2.4863,.0337,.0135;2.4138,.3477,-.0042;-2.7094,.6547,-.8637;-3.0908,-.8803,-.0232;-2.7327,.5987,.9225;2.9663,-.0246,.8686;2.3377,1.4435,.0423;2.9362,.0502,-.9248;1.5251,-2.2983,-.0032;-1.2472,-2.4914,.0135;-.2095,2.1421,.0071;-.4772,2.6651,-1.1007;-.6593,2.6325,1.0106;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.507232556461</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.753030939620</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.039048799811 0.005903167103 0.055373065904 0.009624029901</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.001215094 -0.000045062 0.000282258 0.002076849 0.004014393 0.007734866 0.008877831 0.010296873 0.021427062 0.036690914 0.037483442 0.038182779 0.042742992 0.055735438 0.057585082 0.068638005 0.072503742 0.083782460 0.095571678 0.098001846 0.100748843 0.108084302 0.120479563 0.126973786 0.133698477 0.137798161 0.194575872 0.212162584 0.239531963 0.256009860 0.258967810 0.304937088 0.334100953 0.408822465 0.532343799 0.628308133 0.764910534 0.835806917 0.880007168 0.885754748 0.896328133 0.925994538 0.974846568 1.091683760 1.113718275 1.146772486 1.153470144 1.501401806</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">5</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.07038984"
                              y3="0.56384629"
                              z3="0.00646865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.59657505"
                              y3="-1.62326068"
                              z3="0.01057981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.75779536"
                              y3="-1.52708177"
                              z3="0.00168086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.06005459"
                              y3="-0.1821751"
                              z3="0.00036236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.08441045"
                              y3="-0.33477243"
                              z3="0.01398049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.49077773"
                              y3="0.02727396"
                              z3="0.0109608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.40903669"
                              y3="0.35147109"
                              z3="-0.00231585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.71507678"
                              y3="0.64839728"
                              z3="-0.86584668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.0921069"
                              y3="-0.88841731"
                              z3="-0.02634492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.73924624"
                              y3="0.59109892"
                              z3="0.91975337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.95998272"
                              y3="-0.01891303"
                              z3="0.87182052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.33041732"
                              y3="1.44588704"
                              z3="0.04332225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.93345066"
                              y3="0.05485271"
                              z3="-0.92090449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52472618"
                              y3="-2.29587236"
                              z3="-0.00332744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.24678028"
                              y3="-2.49311216"
                              z3="0.01247267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.21251345"
                              y3="2.14213363"
                              z3="-0.00603286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.47607035"
                              y3="2.6500414"
                              z3="-1.08472979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.60388343"
                              y3="2.65624552"
                              z3="1.01810725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.0704,.5638,.0065;-.5966,-1.6233,.0106;.7578,-1.5271,.0017;1.0601,-.1822,.0004;-1.0844,-.3348,.014;-2.4908,.0273,.011;2.409,.3515,-.0023;-2.7151,.6484,-.8658;-3.0921,-.8884,-.0263;-2.7392,.5911,.9198;2.96,-.0189,.8718;2.3304,1.4459,.0433;2.9335,.0549,-.9209;1.5247,-2.2959,-.0033;-1.2468,-2.4931,.0125;-.2125,2.1421,-.006;-.4761,2.65,-1.0847;-.6039,2.6562,1.0181;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.507612898204</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.753002464154</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008349142108 0.001843700038 0.059559242470 0.013883656765</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.000178660 -0.000007794 0.001384140 0.002084380 0.005289819 0.008858658 0.009170123 0.010738419 0.021516136 0.037234622 0.037490889 0.037923772 0.042880186 0.055900931 0.057473123 0.068470504 0.072836884 0.083801058 0.095503415 0.097711520 0.101297844 0.108441214 0.120467680 0.126240626 0.137072196 0.142285572 0.194602112 0.214418181 0.255907753 0.258390595 0.290289242 0.303324119 0.334102191 0.419597636 0.533519455 0.628405554 0.651503759 0.767404459 0.835835547 0.883861882 0.886136896 0.896514362 0.926261130 1.091338525 1.113736857 1.147209718 1.153540161 1.501396351</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">6</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.07614765"
                              y3="0.56231567"
                              z3="0.0081968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.59797561"
                              y3="-1.62558527"
                              z3="0.01712187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.75624098"
                              y3="-1.52692557"
                              z3="0.00077673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.05584934"
                              y3="-0.18173736"
                              z3="-0.0029289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.08845529"
                              y3="-0.33805643"
                              z3="0.02162747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.49620339"
                              y3="0.0193136"
                              z3="0.01784179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.40393265"
                              y3="0.35476592"
                              z3="-0.00362598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.71293127"
                              y3="0.66875239"
                              z3="-0.84159341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.09343523"
                              y3="-0.89869803"
                              z3="-0.05712495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.75853626"
                              y3="0.5511637"
                              z3="0.94384844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.95717573"
                              y3="-0.02265413"
                              z3="0.86631455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.32330105"
                              y3="1.4488227"
                              z3="0.05232816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.92728073"
                              y3="0.06799459"
                              z3="-0.92556562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52482833"
                              y3="-2.29400853"
                              z3="-0.00786717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.24644244"
                              y3="-2.49669383"
                              z3="0.02206399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.20909253"
                              y3="2.13959668"
                              z3="-0.0116572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.41651111"
                              y3="2.65849227"
                              z3="-1.10570831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.60524504"
                              y3="2.68078464"
                              z3="1.00595874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.0761,.5623,.0082;-.598,-1.6256,.0171;.7562,-1.5269,.0008;1.0558,-.1817,-.0029;-1.0885,-.3381,.0216;-2.4962,.0193,.0178;2.4039,.3548,-.0036;-2.7129,.6688,-.8416;-3.0934,-.8987,-.0571;-2.7585,.5512,.9438;2.9572,-.0227,.8663;2.3233,1.4488,.0523;2.9273,.068,-.9256;1.5248,-2.294,-.0079;-1.2464,-2.4967,.0221;-.2091,2.1396,-.0117;-.4165,2.6585,-1.1057;-.6052,2.6808,1.006;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.507783426861</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.753123972601</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006081247641 0.001460285493 0.105310874796 0.020025125910</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.000167702 -0.000087681 0.000582250 0.001980223 0.003042754 0.007754628 0.009013245 0.010555458 0.021380863 0.037326133 0.037514055 0.038144939 0.042887380 0.055652147 0.056754877 0.067688514 0.071525724 0.083674981 0.095348828 0.097218219 0.100914860 0.108510928 0.119742144 0.125609228 0.136427477 0.146949533 0.194210377 0.215365316 0.255616403 0.258444612 0.296984008 0.325395842 0.370983269 0.445931287 0.548732654 0.613315568 0.691855302 0.765872101 0.840759356 0.883125631 0.888205783 0.896800117 0.926488491 1.091463719 1.113726357 1.146584066 1.153412904 1.501668127</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">7</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.07938399"
                              y3="0.56061042"
                              z3="0.01080763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.59808601"
                              y3="-1.62731081"
                              z3="0.02686439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.75588443"
                              y3="-1.5267548"
                              z3="-0.0091423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.05401677"
                              y3="-0.18125457"
                              z3="-0.01726362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.09031661"
                              y3="-0.34045998"
                              z3="0.03839026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.49783678"
                              y3="0.01736974"
                              z3="0.02711691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.40291991"
                              y3="0.35549672"
                              z3="-0.00984617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.71172849"
                              y3="0.66278771"
                              z3="-0.83350879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.09387758"
                              y3="-0.89705054"
                              z3="-0.0479301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.76401362"
                              y3="0.55039337"
                              z3="0.94575037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.95610687"
                              y3="-0.03222133"
                              z3="0.8562297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.32637035"
                              y3="1.44909742"
                              z3="0.05860487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.92695793"
                              y3="0.07881606"
                              z3="-0.93207429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52583304"
                              y3="-2.29228179"
                              z3="-0.02575971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.24555089"
                              y3="-2.49900055"
                              z3="0.03722698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.21544204"
                              y3="2.13400892"
                              z3="-0.00153477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.31120023"
                              y3="2.67689803"
                              z3="-1.12039583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.69302005"
                              y3="2.67849898"
                              z3="0.99647148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.0794,.5606,.0108;-.5981,-1.6273,.0269;.7559,-1.5268,-.0091;1.054,-.1813,-.0173;-1.0903,-.3405,.0384;-2.4978,.0174,.0271;2.4029,.3555,-.0098;-2.7117,.6628,-.8335;-3.0939,-.8971,-.0479;-2.764,.5504,.9458;2.9561,-.0322,.8562;2.3264,1.4491,.0586;2.927,.0788,-.9321;1.5258,-2.2923,-.0258;-1.2456,-2.499,.0372;-.2154,2.134,-.0015;-.3112,2.6769,-1.1204;-.693,2.6785,.9965;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.508195504767</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.753349196595</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.023480029220 0.004136437524 0.132171345775 0.028880524798</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.000125070 -0.000084128 0.001057829 0.001966948 0.002096321 0.006207726 0.008935413 0.010383353 0.021625876 0.037413349 0.037618294 0.038320998 0.042883406 0.055772833 0.057076670 0.067309207 0.072093075 0.083574620 0.094998821 0.096809885 0.101740992 0.108594839 0.118422425 0.124833324 0.135430953 0.154782245 0.194790057 0.212394083 0.254880142 0.257904189 0.288461952 0.332892686 0.381720868 0.423746004 0.563391248 0.650763455 0.743885055 0.837218157 0.871763386 0.886361164 0.896324997 0.925255024 1.077404352 1.095225801 1.125828688 1.153155001 1.308088736 1.509615147</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">8</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.08069004"
                              y3="0.55938416"
                              z3="0.00062078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.59784989"
                              y3="-1.62831716"
                              z3="0.04974624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.75550849"
                              y3="-1.52695001"
                              z3="-0.01176907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.05357614"
                              y3="-0.18111422"
                              z3="-0.04094264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.09103197"
                              y3="-0.34167231"
                              z3="0.05522558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.49754478"
                              y3="0.01872379"
                              z3="0.03689908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.4036428"
                              y3="0.35513925"
                              z3="-0.02534444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.69753641"
                              y3="0.69289558"
                              z3="-0.80572673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.09318656"
                              y3="-0.89128251"
                              z3="-0.07806925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.77824253"
                              y3="0.52060558"
                              z3="0.96707745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.95630271"
                              y3="-0.04030811"
                              z3="0.83838665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.33280607"
                              y3="1.44834563"
                              z3="0.05290982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.9299891"
                              y3="0.08657203"
                              z3="-0.94544556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52596159"
                              y3="-2.2916171"
                              z3="-0.02839421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.24511231"
                              y3="-2.49992603"
                              z3="0.0751522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.22615012"
                              y3="2.12692872"
                              z3="0.00404559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.17902889"
                              y3="2.70799191"
                              z3="-1.12474412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.82378039"
                              y3="2.65224378"
                              z3="0.98037962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.0807,.5594,.0006;-.5978,-1.6283,.0497;.7555,-1.527,-.0118;1.0536,-.1811,-.0409;-1.091,-.3417,.0552;-2.4975,.0187,.0369;2.4036,.3551,-.0253;-2.6975,.6929,-.8057;-3.0932,-.8913,-.0781;-2.7782,.5206,.9671;2.9563,-.0403,.8384;2.3328,1.4483,.0529;2.93,.0866,-.9454;1.526,-2.2916,-.0284;-1.2451,-2.4999,.0752;-.2262,2.1269,.004;-.179,2.708,-1.1247;-.8238,2.6522,.9804;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.508635763742</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.753817718413</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.037556577152 0.008196702766 0.067430114181 0.023122586290</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.000128131 -0.000080542 0.001449423 0.001923294 0.004675230 0.005782964 0.008919646 0.010629966 0.021616676 0.037398510 0.037690682 0.038294159 0.042932083 0.055725735 0.057042511 0.066805013 0.071990517 0.083800121 0.094419718 0.096549424 0.101729654 0.108656768 0.117107852 0.124025292 0.134816684 0.159617445 0.194194379 0.208684544 0.253188844 0.257444106 0.278011574 0.331879352 0.378553630 0.395897458 0.558042401 0.652635407 0.743162054 0.836271016 0.854862390 0.886406062 0.896631020 0.922516313 0.993115101 1.092374137 1.116959848 1.152776906 1.196903687 1.505774167</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">9</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.08209438"
                              y3="0.55930844"
                              z3="-0.03255041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.59838388"
                              y3="-1.62913541"
                              z3="0.06312502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.75368714"
                              y3="-1.52804902"
                              z3="-0.0094613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.05253049"
                              y3="-0.18188761"
                              z3="-0.06900155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.0926216"
                              y3="-0.34228709"
                              z3="0.04686239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.49823203"
                              y3="0.01912389"
                              z3="0.02724794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.40185492"
                              y3="0.35647076"
                              z3="-0.04074116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.71356559"
                              y3="0.65065815"
                              z3="-0.83652267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.09240269"
                              y3="-0.88569391"
                              z3="-0.0365894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.76687266"
                              y3="0.55982816"
                              z3="0.92758911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.94618749"
                              y3="-0.02723168"
                              z3="0.83311496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.3312581"
                              y3="1.44970063"
                              z3="0.02659538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.94188475"
                              y3="0.08186848"
                              z3="-0.94832787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52360042"
                              y3="-2.29297407"
                              z3="-0.00998507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.24555373"
                              y3="-2.50053685"
                              z3="0.10526184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.23796447"
                              y3="2.12031318"
                              z3="0.00675332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.11729713"
                              y3="2.76027873"
                              z3="-1.05731401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.85838214"
                              y3="2.59788822"
                              z3="1.00395046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.0821,.5593,-.0326;-.5984,-1.6291,.0631;.7537,-1.528,-.0095;1.0525,-.1819,-.069;-1.0926,-.3423,.0469;-2.4982,.0191,.0272;2.4019,.3565,-.0407;-2.7136,.6507,-.8365;-3.0924,-.8857,-.0366;-2.7669,.5598,.9276;2.9462,-.0272,.8331;2.3313,1.4497,.0266;2.9419,.0819,-.9483;1.5236,-2.293,-.01;-1.2456,-2.5005,.1053;-.238,2.1203,.0068;-.1173,2.7603,-1.0573;-.8584,2.5979,1.004;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.509539663760</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.754015338649</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.031685245637 0.008499513645 0.161985265943 0.033349372948</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.000635704 -0.000080828 0.000651828 0.002094743 0.004209942 0.008229029 0.009009999 0.010603910 0.021712069 0.037368874 0.037547358 0.038499224 0.042937530 0.055504083 0.057013437 0.066858357 0.071058347 0.080810980 0.091236832 0.095940634 0.098286513 0.101981958 0.108693909 0.122146806 0.126894992 0.137851244 0.196360404 0.229028753 0.235218449 0.256209224 0.264274687 0.304045298 0.349772928 0.398466133 0.522457040 0.577084112 0.675297017 0.786981209 0.845720071 0.885932317 0.890889439 0.900931043 0.926210633 1.091523006 1.115109673 1.151594683 1.153614055 1.500922876</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">10</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.09204768"
                              y3="0.56789584"
                              z3="-0.02269606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.59769179"
                              y3="-1.62764438"
                              z3="0.07598251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.75101231"
                              y3="-1.52465093"
                              z3="-0.01869816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04749087"
                              y3="-0.1788018"
                              z3="-0.0780148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.09992588"
                              y3="-0.34248608"
                              z3="0.07649622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.50696458"
                              y3="0.00513174"
                              z3="0.04809249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.39035577"
                              y3="0.36329549"
                              z3="-0.04496334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.70409162"
                              y3="0.66772468"
                              z3="-0.80588888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.09765278"
                              y3="-0.9117923"
                              z3="-0.06028999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.80673636"
                              y3="0.52000782"
                              z3="0.96973833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.93616725"
                              y3="-0.04298403"
                              z3="0.82049366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.3116761"
                              y3="1.45677447"
                              z3="0.05641697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.93768652"
                              y3="0.12000887"
                              z3="-0.96837255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52186785"
                              y3="-2.28990342"
                              z3="-0.03725157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23994574"
                              y3="-2.50178971"
                              z3="0.12112674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.27006822"
                              y3="2.1172763"
                              z3="-0.03547349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.04468814"
                              y3="2.7526333"
                              z3="-0.99393784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.87818714"
                              y3="2.61694714"
                              z3="0.89724676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.092,.5679,-.0227;-.5977,-1.6276,.076;.751,-1.5247,-.0187;1.0475,-.1788,-.078;-1.0999,-.3425,.0765;-2.507,.0051,.0481;2.3904,.3633,-.045;-2.7041,.6677,-.8059;-3.0977,-.9118,-.0603;-2.8067,.52,.9697;2.9362,-.043,.8205;2.3117,1.4568,.0564;2.9377,.12,-.9684;1.5219,-2.2899,-.0373;-1.2399,-2.5018,.1211;-.2701,2.1173,-.0355;.0447,2.7526,-.9939;-.8782,2.6169,.8972;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.513604548073</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.754337351200</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.026866169800 0.005217926816 0.285857364603 0.048098221586</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.000632606 -0.000077268 0.001274677 0.002170294 0.004855446 0.008725576 0.009147029 0.010992487 0.021591088 0.037378396 0.037803067 0.038539331 0.042948868 0.055404104 0.056810551 0.067460115 0.071145433 0.083470980 0.095325497 0.097235354 0.101629188 0.108541888 0.116928032 0.125815833 0.133168698 0.138548498 0.196633637 0.231069739 0.255521705 0.257784210 0.299929769 0.331200084 0.356819960 0.474200905 0.493705632 0.579095828 0.674362640 0.791203058 0.846148123 0.887033649 0.892871896 0.902142461 0.926513548 1.091551003 1.114772818 1.153013643 1.153409418 1.502061636</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">11</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11017381"
                              y3="0.57289256"
                              z3="-0.01912735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.59803726"
                              y3="-1.63079101"
                              z3="0.09752669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74704657"
                              y3="-1.52078662"
                              z3="-0.03268243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.03775543"
                              y3="-0.17362545"
                              z3="-0.10259017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.11237015"
                              y3="-0.34913131"
                              z3="0.11246149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.52014388"
                              y3="-0.01459244"
                              z3="0.07198174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.37471397"
                              y3="0.37377269"
                              z3="-0.05949969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.70231315"
                              y3="0.66754896"
                              z3="-0.77560214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.10555566"
                              y3="-0.93769725"
                              z3="-0.06739715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.84548371"
                              y3="0.48399155"
                              z3="1.00225354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.9192573"
                              y3="-0.04655576"
                              z3="0.80143222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.29185805"
                              y3="1.46487343"
                              z3="0.06647284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.93169123"
                              y3="0.1538405"
                              z3="-0.98853197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.5207708"
                              y3="-2.28393486"
                              z3="-0.06734725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23291209"
                              y3="-2.50966793"
                              z3="0.15284341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.30887185"
                              y3="2.10311463"
                              z3="-0.0588241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.3305455"
                              y3="2.79664743"
                              z3="-0.9271834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.97014428"
                              y3="2.61774389"
                              z3="0.79382072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1102,.5729,-.0191;-.598,-1.6308,.0975;.747,-1.5208,-.0327;1.0378,-.1736,-.1026;-1.1124,-.3491,.1125;-2.5201,-.0146,.072;2.3747,.3738,-.0595;-2.7023,.6675,-.7756;-3.1056,-.9377,-.0674;-2.8455,.484,1.0023;2.9193,-.0466,.8014;2.2919,1.4649,.0665;2.9317,.1538,-.9885;1.5208,-2.2839,-.0673;-1.2329,-2.5097,.1528;-.3089,2.1031,-.0588;.3305,2.7966,-.9272;-.9701,2.6177,.7938;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.517129591157</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.755957964224</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.068869209358 0.011678755235 0.237603197141 0.042234514217</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.000648440 -0.000077312 0.001952238 0.002995277 0.006688700 0.008872601 0.009527090 0.010682508 0.022779626 0.037184232 0.037765800 0.038998094 0.042949097 0.055767237 0.059713562 0.067462302 0.078940335 0.085422176 0.095486739 0.097139527 0.104315398 0.110021227 0.118849662 0.127589563 0.138441695 0.145501266 0.196685309 0.232155061 0.254482349 0.257070590 0.302792457 0.331995238 0.358451922 0.478910517 0.563048144 0.670656088 0.689776535 0.790045253 0.846779488 0.886819519 0.893838812 0.901979949 0.925966833 1.092025826 1.114821321 1.153224720 1.159578859 1.501551497</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">12</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.09923056"
                              y3="0.57708429"
                              z3="0.0098144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.59373704"
                              y3="-1.62360034"
                              z3="0.10389975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74983309"
                              y3="-1.51845392"
                              z3="-0.05315378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04686414"
                              y3="-0.1714611"
                              z3="-0.10997628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.10643884"
                              y3="-0.34071337"
                              z3="0.14872837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.51154508"
                              y3="-0.0014674"
                              z3="0.09556161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.38708936"
                              y3="0.36875795"
                              z3="-0.06537032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.67763801"
                              y3="0.69839953"
                              z3="-0.74642004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.10144406"
                              y3="-0.92214867"
                              z3="-0.06953465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.85004203"
                              y3="0.4846105"
                              z3="1.0315511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.93312376"
                              y3="-0.0720782"
                              z3="0.78585415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.31969869"
                              y3="1.45792828"
                              z3="0.07977221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.93804244"
                              y3="0.15878373"
                              z3="-0.99941286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.51994463"
                              y3="-2.28462307"
                              z3="-0.11261701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23035773"
                              y3="-2.50093635"
                              z3="0.16209497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.29489918"
                              y3="2.09825401"
                              z3="-0.06551358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.4261169"
                              y3="2.74966526"
                              z3="-0.87405268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.20774747"
                              y3="2.60964187"
                              z3="0.67878163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.0992,.5771,.0098;-.5937,-1.6236,.1039;.7498,-1.5185,-.0532;1.0469,-.1715,-.11;-1.1064,-.3407,.1487;-2.5115,-.0015,.0956;2.3871,.3688,-.0654;-2.6776,.6984,-.7464;-3.1014,-.9221,-.0695;-2.85,.4846,1.0316;2.9331,-.0721,.7859;2.3197,1.4579,.0798;2.938,.1588,-.9994;1.5199,-2.2846,-.1126;-1.2304,-2.5009,.1621;-.2949,2.0983,-.0655;.4261,2.7497,-.8741;-1.2077,2.6096,.6788;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.519899439039</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.757218412125</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.040985898678 0.010645501358 0.073862450193 0.021506928234</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.000537962 -0.000077990 0.002150094 0.006614577 0.008246124 0.009104524 0.010378404 0.011170516 0.024285445 0.037165275 0.037872815 0.039491022 0.043065860 0.056052636 0.060623045 0.067051998 0.078535262 0.084140063 0.095632036 0.097409102 0.101717407 0.108209764 0.119270255 0.127404097 0.136688173 0.146864579 0.196574645 0.231812485 0.254546230 0.256706961 0.301288453 0.337326948 0.358087310 0.464319984 0.565177975 0.625483898 0.719836110 0.790423033 0.848946408 0.886606189 0.891692682 0.902867321 0.925555665 1.091840604 1.115104365 1.153171790 1.153869967 1.501276993</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">13</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.10892076"
                              y3="0.57542211"
                              z3="0.00039543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.59740793"
                              y3="-1.62581424"
                              z3="0.0930872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.7461317"
                              y3="-1.5138208"
                              z3="-0.05549834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.03884741"
                              y3="-0.16546565"
                              z3="-0.11125213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.11404564"
                              y3="-0.34623915"
                              z3="0.13035152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.52124724"
                              y3="-0.01264953"
                              z3="0.08903416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.3819436"
                              y3="0.37503053"
                              z3="-0.06758123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.7151304"
                              y3="0.65006799"
                              z3="-0.76941393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.10557405"
                              y3="-0.93365783"
                              z3="-0.02331977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.83550849"
                              y3="0.50671143"
                              z3="1.00502577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.9204955"
                              y3="-0.036233"
                              z3="0.79613139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.31966041"
                              y3="1.45923663"
                              z3="0.03846175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.93312337"
                              y3="0.13045813"
                              z3="-0.97912683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.51756427"
                              y3="-2.27663038"
                              z3="-0.11351234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.2294773"
                              y3="-2.50739638"
                              z3="0.16021251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.25877312"
                              y3="2.09647115"
                              z3="-0.05736744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.42844096"
                              y3="2.78272561"
                              z3="-0.80019023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.15248927"
                              y3="2.60942636"
                              z3="0.66456951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1089,.5754,.0004;-.5974,-1.6258,.0931;.7461,-1.5138,-.0555;1.0388,-.1655,-.1113;-1.114,-.3462,.1304;-2.5212,-.0126,.089;2.3819,.375,-.0676;-2.7151,.6501,-.7694;-3.1056,-.9337,-.0233;-2.8355,.5067,1.005;2.9205,-.0362,.7961;2.3197,1.4592,.0385;2.9331,.1305,-.9791;1.5176,-2.2766,-.1135;-1.2295,-2.5074,.1602;-.2588,2.0965,-.0574;.4284,2.7827,-.8002;-1.1525,2.6094,.6646;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.522810959459</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.757073635502</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.023267147649 0.007322138099 0.068997563405 0.015577872780</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.001214835 -0.000101449 0.001964486 0.002323001 0.007186501 0.009038445 0.009777426 0.012169720 0.024556731 0.037197007 0.037867586 0.040071021 0.043304873 0.055579107 0.059389352 0.066749402 0.075409988 0.085319958 0.095606229 0.097206009 0.102230747 0.108162850 0.118451235 0.128119479 0.132475546 0.138510199 0.197247609 0.233370101 0.254918687 0.259189144 0.290334383 0.303133750 0.346605808 0.427830125 0.555929611 0.602421340 0.665386051 0.794229467 0.845149146 0.887232156 0.893326736 0.901854024 0.927314988 1.091745952 1.115440512 1.153383273 1.159984376 1.501281543</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">14</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.1119825"
                              y3="0.58032125"
                              z3="-0.01394008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.59809866"
                              y3="-1.62579013"
                              z3="0.09646785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74502371"
                              y3="-1.51028563"
                              z3="-0.05169115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.03788528"
                              y3="-0.16174068"
                              z3="-0.11507857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.11559062"
                              y3="-0.34882468"
                              z3="0.1269989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.52233725"
                              y3="-0.01396044"
                              z3="0.09320697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.38253932"
                              y3="0.37492982"
                              z3="-0.07267227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.71978273"
                              y3="0.6498754"
                              z3="-0.7618235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.10590958"
                              y3="-0.93312913"
                              z3="-0.01935452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.83172318"
                              y3="0.50236105"
                              z3="1.01000018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.92487137"
                              y3="-0.03975638"
                              z3="0.78897177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.3219749"
                              y3="1.46207714"
                              z3="0.03936475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.93239992"
                              y3="0.13559795"
                              z3="-0.98961055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.51535174"
                              y3="-2.27298912"
                              z3="-0.10941592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.22813488"
                              y3="-2.50791823"
                              z3="0.16704578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.30275016"
                              y3="2.09380125"
                              z3="-0.06429443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.47479529"
                              y3="2.77962601"
                              z3="-0.73119267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.15089895"
                              y3="2.60344757"
                              z3="0.60702447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.112,.5803,-.0139;-.5981,-1.6258,.0965;.745,-1.5103,-.0517;1.0379,-.1617,-.1151;-1.1156,-.3488,.127;-2.5223,-.014,.0932;2.3825,.3749,-.0727;-2.7198,.6499,-.7618;-3.1059,-.9331,-.0194;-2.8317,.5024,1.01;2.9249,-.0398,.789;2.322,1.4621,.0394;2.9324,.1356,-.9896;1.5154,-2.273,-.1094;-1.2281,-2.5079,.167;-.3028,2.0938,-.0643;.4748,2.7796,-.7312;-1.1509,2.6034,.607;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.524640987315</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.757205839252</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.029675766513 0.005953388294 0.083467809018 0.022466816739</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.000804644 -0.000098326 0.002145812 0.003652150 0.007191678 0.009066282 0.009772406 0.012115247 0.025102759 0.037187865 0.037848156 0.040055812 0.043292363 0.055911984 0.061965400 0.067956909 0.083887891 0.094006621 0.095654156 0.096825945 0.107371564 0.112947080 0.122315577 0.130122678 0.137423089 0.159215335 0.198570697 0.234121022 0.255370138 0.259456939 0.275926710 0.305774948 0.345721794 0.418699175 0.588902164 0.653616411 0.715777787 0.793711703 0.850811563 0.886789250 0.893084904 0.906693940 0.926284521 1.093707453 1.116967349 1.155076589 1.159330505 1.501291709</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">15</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.1160767"
                              y3="0.58098741"
                              z3="-0.01812661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.59863689"
                              y3="-1.62559722"
                              z3="0.09801744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74359793"
                              y3="-1.50838951"
                              z3="-0.04938309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.03625496"
                              y3="-0.16021854"
                              z3="-0.1183673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.11902412"
                              y3="-0.34972764"
                              z3="0.12392318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.52543019"
                              y3="-0.01693604"
                              z3="0.0999389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.38149535"
                              y3="0.37596141"
                              z3="-0.08173548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.73204596"
                              y3="0.64817353"
                              z3="-0.75147106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.1086376"
                              y3="-0.93599682"
                              z3="-0.01057482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.82912941"
                              y3="0.49630616"
                              z3="1.02039133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.93030415"
                              y3="-0.0473861"
                              z3="0.77206684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.32381042"
                              y3="1.46245526"
                              z3="0.04083226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.92571067"
                              y3="0.14551967"
                              z3="-1.00571684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.51410883"
                              y3="-2.27031775"
                              z3="-0.10252082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.2262528"
                              y3="-2.50932782"
                              z3="0.17485535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.28267383"
                              y3="2.08851572"
                              z3="-0.06927896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.55289139"
                              y3="2.79335354"
                              z3="-0.64772486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.2226332"
                              y3="2.60026777"
                              z3="0.52488154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1161,.581,-.0181;-.5986,-1.6256,.098;.7436,-1.5084,-.0494;1.0363,-.1602,-.1184;-1.119,-.3497,.1239;-2.5254,-.0169,.0999;2.3815,.376,-.0817;-2.732,.6482,-.7515;-3.1086,-.936,-.0106;-2.8291,.4963,1.0204;2.9303,-.0474,.7721;2.3238,1.4625,.0408;2.9257,.1455,-1.0057;1.5141,-2.2703,-.1025;-1.2263,-2.5093,.1749;-.2827,2.0885,-.0693;.5529,2.7934,-.6477;-1.2226,2.6003,.5249;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.526942751387</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.757792971474</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.015887124895 0.004555730454 0.134501559598 0.032402150437</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.000790202 -0.000083079 0.002161792 0.006443813 0.006930814 0.009077874 0.009872538 0.011590581 0.024455204 0.037062105 0.037737213 0.039409832 0.043226291 0.055920924 0.060712183 0.067919032 0.084129457 0.087494532 0.094886106 0.097060377 0.105946931 0.115577033 0.119934482 0.124202726 0.136219616 0.140879149 0.197483443 0.233986136 0.255501994 0.262556375 0.295350968 0.334314567 0.346443707 0.446723333 0.597524006 0.636009133 0.715595026 0.815294360 0.845930405 0.886568738 0.892254214 0.902360468 0.926283026 1.091279580 1.114995631 1.155135052 1.161308473 1.502182943</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">16</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11197232"
                              y3="0.58579489"
                              z3="-0.01926495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.59889791"
                              y3="-1.61997003"
                              z3="0.09353727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74493424"
                              y3="-1.50605974"
                              z3="-0.04058418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04126884"
                              y3="-0.16052382"
                              z3="-0.10968942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.11826891"
                              y3="-0.34392421"
                              z3="0.11104773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.52558085"
                              y3="-0.01440051"
                              z3="0.10839601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.38784766"
                              y3="0.37132376"
                              z3="-0.09499304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.75009716"
                              y3="0.65227794"
                              z3="-0.7366314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.10762473"
                              y3="-0.93586566"
                              z3="-0.00018148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.8197537"
                              y3="0.49042437"
                              z3="1.03862908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.95235576"
                              y3="-0.06005155"
                              z3="0.74582362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.33559767"
                              y3="1.45891558"
                              z3="0.03550472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.91480592"
                              y3="0.14735628"
                              z3="-1.03439947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.51430345"
                              y3="-2.26983767"
                              z3="-0.08230218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.22660246"
                              y3="-2.50265299"
                              z3="0.17234913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.26821918"
                              y3="2.09492544"
                              z3="-0.06293542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.61489813"
                              y3="2.78419734"
                              z3="-0.514679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.33136146"
                              y3="2.59571357"
                              z3="0.39037998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.112,.5858,-.0193;-.5989,-1.62,.0935;.7449,-1.5061,-.0406;1.0413,-.1605,-.1097;-1.1183,-.3439,.111;-2.5256,-.0144,.1084;2.3878,.3713,-.095;-2.7501,.6523,-.7366;-3.1076,-.9359,-.0002;-2.8198,.4904,1.0386;2.9524,-.0601,.7458;2.3356,1.4589,.0355;2.9148,.1474,-1.0344;1.5143,-2.2698,-.0823;-1.2266,-2.5027,.1723;-.2682,2.0949,-.0629;.6149,2.7842,-.5147;-1.3314,2.5957,.3904;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.528913331780</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758272640656</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.040387265884 0.007241631005 0.147163979858 0.035611559886</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.000793632 -0.000083040 0.002155415 0.004589217 0.007234343 0.009038371 0.009883813 0.012754730 0.026213558 0.037257813 0.037722177 0.041407542 0.043550752 0.055779465 0.062537887 0.068072928 0.083868952 0.093865593 0.095450599 0.097477252 0.107160044 0.113615395 0.122823350 0.126586283 0.137264214 0.179263156 0.197285834 0.234059069 0.255553153 0.262886929 0.294368225 0.324411883 0.347427598 0.438548091 0.595856441 0.655450423 0.786845275 0.841919472 0.885134530 0.891923785 0.896243116 0.900119881 0.926481514 1.093103668 1.114629824 1.155256645 1.162629253 1.501932258</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">17</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.12273534"
                              y3="0.59011074"
                              z3="-0.03551905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60142157"
                              y3="-1.61866953"
                              z3="0.09892853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74351677"
                              y3="-1.50104208"
                              z3="-0.02168814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.03597399"
                              y3="-0.15616897"
                              z3="-0.10384739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12750498"
                              y3="-0.34547838"
                              z3="0.09344712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53721078"
                              y3="-0.02682468"
                              z3="0.11360363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.38258337"
                              y3="0.37492763"
                              z3="-0.11197823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.77985684"
                              y3="0.65355142"
                              z3="-0.71663315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11315302"
                              y3="-0.95225862"
                              z3="-0.00345199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.82498547"
                              y3="0.45841973"
                              z3="1.0583401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.96870861"
                              y3="-0.07744657"
                              z3="0.70546438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.33810847"
                              y3="1.46008996"
                              z3="0.04164265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.88516767"
                              y3="0.16881399"
                              z3="-1.07045315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.51633526"
                              y3="-2.26271946"
                              z3="-0.0457461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.22456853"
                              y3="-2.50426494"
                              z3="0.18498461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.26949976"
                              y3="2.09452074"
                              z3="-0.08229022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.74258088"
                              y3="2.82048212"
                              z3="-0.36751502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.36440574"
                              y3="2.5915999"
                              z3="0.26271845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1227,.5901,-.0355;-.6014,-1.6187,.0989;.7435,-1.501,-.0217;1.036,-.1562,-.1038;-1.1275,-.3455,.0934;-2.5372,-.0268,.1136;2.3826,.3749,-.112;-2.7799,.6536,-.7166;-3.1132,-.9523,-.0035;-2.825,.4584,1.0583;2.9687,-.0774,.7055;2.3381,1.4601,.0416;2.8852,.1688,-1.0705;1.5163,-2.2627,-.0457;-1.2246,-2.5043,.185;-.2695,2.0945,-.0823;.7426,2.8205,-.3675;-1.3644,2.5916,.2627;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.529041644461</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758890944816</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.038575132883 0.009635285244 0.057158789925 0.013510776514</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.000803599 -0.000083213 0.002154627 0.007188267 0.008627245 0.009022920 0.012463913 0.013587630 0.026093605 0.037698266 0.037754717 0.041961848 0.043536144 0.055917199 0.062659684 0.068347758 0.084322545 0.093973710 0.096402623 0.099365244 0.108164514 0.117659852 0.122716532 0.136946261 0.138848495 0.190465010 0.203257922 0.235244271 0.255367310 0.263015670 0.306523123 0.342946936 0.348300896 0.488044829 0.609865336 0.663449308 0.742561056 0.796087131 0.842041217 0.886641906 0.892012061 0.900469059 0.926310940 1.092616567 1.114641426 1.157298387 1.160447232 1.501379413</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">18</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.12033446"
                              y3="0.58933711"
                              z3="-0.03654684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60213948"
                              y3="-1.61816321"
                              z3="0.09772495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74499739"
                              y3="-1.50215327"
                              z3="-0.00636903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.03750503"
                              y3="-0.15773241"
                              z3="-0.08865504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12650507"
                              y3="-0.34392598"
                              z3="0.07992889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53656298"
                              y3="-0.02570509"
                              z3="0.1081398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.3837241"
                              y3="0.37388964"
                              z3="-0.1124478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.7812531"
                              y3="0.66595891"
                              z3="-0.71294868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11237166"
                              y3="-0.95160762"
                              z3="-0.02037175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.82238156"
                              y3="0.44551581"
                              z3="1.06224703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.98278278"
                              y3="-0.0946999"
                              z3="0.6897562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.33838819"
                              y3="1.4603816"
                              z3="0.06162239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.87143882"
                              y3="0.18474628"
                              z3="-1.0878597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.51890848"
                              y3="-2.26373386"
                              z3="-0.01875272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.22747418"
                              y3="-2.50237704"
                              z3="0.1795401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.26575697"
                              y3="2.0987889"
                              z3="-0.08172011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.68542209"
                              y3="2.80778281"
                              z3="-0.38490811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.32075441"
                              y3="2.60134033"
                              z3="0.27162741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1203,.5893,-.0365;-.6021,-1.6182,.0977;.745,-1.5022,-.0064;1.0375,-.1577,-.0887;-1.1265,-.3439,.0799;-2.5366,-.0257,.1081;2.3837,.3739,-.1124;-2.7813,.666,-.7129;-3.1124,-.9516,-.0204;-2.8224,.4455,1.0622;2.9828,-.0947,.6898;2.3384,1.4604,.0616;2.8714,.1847,-1.0879;1.5189,-2.2637,-.0188;-1.2275,-2.5024,.1795;-.2658,2.0988,-.0817;.6854,2.8078,-.3849;-1.3208,2.6013,.2716;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.530987131448</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758469350686</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.011584046717 0.003297329014 0.072555468917 0.019485938919</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.002752187 -0.000116191 0.002150394 0.006126767 0.007437836 0.008986308 0.011870764 0.012848636 0.025994916 0.037617829 0.037797344 0.041519457 0.043330625 0.056022416 0.062655125 0.068271935 0.084065020 0.093991360 0.096392438 0.098595280 0.108161091 0.115929698 0.122734112 0.133526994 0.136975033 0.186718054 0.192845258 0.226025630 0.255409028 0.262954326 0.303399939 0.306562480 0.349543809 0.463171067 0.561495414 0.657665658 0.743488484 0.800005694 0.842060931 0.886664994 0.891761233 0.901142819 0.926467520 1.093844430 1.114617758 1.155169476 1.160861951 1.501107734</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">19</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11403749"
                              y3="0.59335356"
                              z3="-0.02160773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60161039"
                              y3="-1.61388209"
                              z3="0.08441303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74943215"
                              y3="-1.49993704"
                              z3="-0.00944442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04430087"
                              y3="-0.15704678"
                              z3="-0.07430446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12485856"
                              y3="-0.34036289"
                              z3="0.07261714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53277381"
                              y3="-0.02097758"
                              z3="0.11162807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.38899263"
                              y3="0.37201092"
                              z3="-0.11659675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.78610475"
                              y3="0.65645265"
                              z3="-0.71462454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11305226"
                              y3="-0.94490618"
                              z3="0.00517781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.80165014"
                              y3="0.46626586"
                              z3="1.05898697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.98182131"
                              y3="-0.05972238"
                              z3="0.68918914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.3562123"
                              y3="1.44834981"
                              z3="0.01539876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.86891737"
                              y3="0.14641983"
                              z3="-1.06887265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52298805"
                              y3="-2.26331564"
                              z3="-0.02824835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.22954835"
                              y3="-2.49667839"
                              z3="0.15882192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.27711621"
                              y3="2.09889368"
                              z3="-0.06074709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.67292696"
                              y3="2.78310231"
                              z3="-0.31235264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.35720671"
                              y3="2.59962335"
                              z3="0.21057277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.114,.5934,-.0216;-.6016,-1.6139,.0844;.7494,-1.4999,-.0094;1.0443,-.157,-.0743;-1.1249,-.3404,.0726;-2.5328,-.021,.1116;2.389,.372,-.1166;-2.7861,.6565,-.7146;-3.1131,-.9449,.0052;-2.8017,.4663,1.059;2.9818,-.0597,.6892;2.3562,1.4483,.0154;2.8689,.1464,-1.0689;1.523,-2.2633,-.0282;-1.2295,-2.4967,.1588;-.2771,2.0989,-.0607;.6729,2.7831,-.3124;-1.3572,2.5996,.2106;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.531438099632</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758637747055</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.016114226887 0.004762256950 0.084346364569 0.028115028177</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.003703712 0.000034989 0.002143762 0.006519316 0.007518115 0.008979055 0.012098700 0.013755495 0.026259717 0.037727437 0.037844429 0.042637040 0.046115193 0.056040838 0.062661251 0.068557814 0.083813611 0.094011773 0.096431394 0.100095481 0.108055353 0.114814951 0.122656439 0.131283045 0.137188762 0.190683743 0.207331945 0.231442664 0.255503407 0.264150440 0.299962455 0.309262862 0.358564702 0.457063501 0.564980922 0.658119293 0.787868713 0.826870150 0.850177521 0.886431131 0.892484323 0.901342501 0.930664549 1.096340300 1.115789091 1.157162544 1.160828191 1.502000712</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">20</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11828732"
                              y3="0.59159141"
                              z3="-0.01317688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60102621"
                              y3="-1.61672796"
                              z3="0.0653802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74894502"
                              y3="-1.50045015"
                              z3="-0.00984178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04304669"
                              y3="-0.15649306"
                              z3="-0.0604326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12532385"
                              y3="-0.34338243"
                              z3="0.06355193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53146845"
                              y3="-0.01686062"
                              z3="0.10606162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.39111101"
                              y3="0.36676123"
                              z3="-0.12206167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.80769223"
                              y3="0.59412861"
                              z3="-0.76462332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11754537"
                              y3="-0.94224172"
                              z3="0.08952418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.77003315"
                              y3="0.54487035"
                              z3="1.01812167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="2.99246897"
                              y3="-0.03061346"
                              z3="0.70693888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.35802814"
                              y3="1.4556982"
                              z3="-0.04022719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.87115491"
                              y3="0.09660865"
                              z3="-1.07383041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52421133"
                              y3="-2.2619498"
                              z3="-0.02596479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.22810171"
                              y3="-2.49970895"
                              z3="0.11941372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.28281632"
                              y3="2.09705706"
                              z3="-0.03389214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.68754139"
                              y3="2.81527085"
                              z3="-0.22921087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.38657985"
                              y3="2.5740848"
                              z3="0.20427646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1183,.5916,-.0132;-.601,-1.6167,.0654;.7489,-1.5005,-.0098;1.043,-.1565,-.0604;-1.1253,-.3434,.0636;-2.5315,-.0169,.1061;2.3911,.3668,-.1221;-2.8077,.5941,-.7646;-3.1175,-.9422,.0895;-2.77,.5449,1.0181;2.9925,-.0306,.7069;2.358,1.4557,-.0402;2.8712,.0966,-1.0738;1.5242,-2.2619,-.026;-1.2281,-2.4997,.1194;-.2828,2.0971,-.0339;.6875,2.8153,-.2292;-1.3866,2.5741,.2043;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.531976125725</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758736752552</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007857739317 0.002597078070 0.144614086837 0.040551640063</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">-0.018538703 0.000051730 0.002239322 0.005266368 0.007327876 0.008980244 0.010680948 0.013751394 0.026217932 0.036774456 0.037773749 0.040489775 0.043167703 0.056006979 0.062667650 0.067970857 0.083831584 0.093506914 0.096225479 0.097506211 0.107727691 0.117539647 0.122546149 0.133315049 0.137418153 0.168960876 0.196217620 0.221866602 0.255329260 0.262124787 0.305362454 0.334304289 0.341051222 0.484061320 0.508090487 0.652859590 0.667877777 0.800206094 0.843362858 0.887574734 0.892210037 0.900455436 0.924948215 1.090955114 1.118238127 1.155048930 1.160814927 1.500603856</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">21</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.12716078"
                              y3="0.58647373"
                              z3="-0.04278075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60488792"
                              y3="-1.62743411"
                              z3="0.09031824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74346339"
                              y3="-1.50225519"
                              z3="0.01698843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.0362735"
                              y3="-0.15272783"
                              z3="-0.05598162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.13167347"
                              y3="-0.3571007"
                              z3="0.05984478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53627404"
                              y3="-0.02409349"
                              z3="0.11473475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.38367514"
                              y3="0.37203831"
                              z3="-0.1268558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.80401353"
                              y3="0.65110394"
                              z3="-0.71171824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11500897"
                              y3="-0.94788997"
                              z3="0.03536667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.7900513"
                              y3="0.47646288"
                              z3="1.06377189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.02969544"
                              y3="-0.11330417"
                              z3="0.66396689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.337849"
                              y3="1.48477822"
                              z3="0.0564313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.83895302"
                              y3="0.18009642"
                              z3="-1.14548627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.51831786"
                              y3="-2.26004302"
                              z3="0.00199195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23301307"
                              y3="-2.5144123"
                              z3="0.15647892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.2745603"
                              y3="2.08899488"
                              z3="-0.08231862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.73254395"
                              y3="2.85243562"
                              z3="-0.15440791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.3564949"
                              y3="2.57451976"
                              z3="0.05966237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1272,.5865,-.0428;-.6049,-1.6274,.0903;.7435,-1.5023,.017;1.0363,-.1527,-.056;-1.1317,-.3571,.0598;-2.5363,-.0241,.1147;2.3837,.372,-.1269;-2.804,.6511,-.7117;-3.115,-.9479,.0354;-2.7901,.4765,1.0638;3.0297,-.1133,.664;2.3378,1.4848,.0564;2.839,.1801,-1.1455;1.5183,-2.26,.002;-1.233,-2.5144,.1565;-.2746,2.089,-.0823;.7325,2.8524,-.1544;-1.3565,2.5745,.0597;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.529025936332</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758812662453</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.053701614577 0.013901575225 0.034563362374 0.013517028883</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.000033953 0.002233714 0.004596220 0.006498371 0.007356406 0.009009404 0.012191649 0.014227187 0.026368541 0.037721293 0.037806494 0.042505641 0.045179218 0.056075547 0.062677774 0.068206057 0.085020561 0.094638019 0.096615864 0.099672301 0.108420319 0.120408395 0.122511076 0.137202205 0.140742477 0.189857493 0.218092507 0.246621690 0.255463497 0.262241409 0.306151149 0.342394746 0.364831202 0.495914589 0.561144725 0.655425784 0.719526050 0.801993179 0.849489475 0.887682609 0.893345319 0.904110474 0.927285202 1.092040602 1.122572049 1.159521840 1.162712303 1.500615908</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">22</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11696889"
                              y3="0.59099128"
                              z3="-0.02614061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60371926"
                              y3="-1.61883491"
                              z3="0.07978331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74766447"
                              y3="-1.50149349"
                              z3="0.00971116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04320998"
                              y3="-0.15715615"
                              z3="-0.05264827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12786856"
                              y3="-0.34604014"
                              z3="0.0558413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53435902"
                              y3="-0.02170326"
                              z3="0.11330365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.38785423"
                              y3="0.37142669"
                              z3="-0.1270717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.80889571"
                              y3="0.63245273"
                              z3="-0.72450575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11590649"
                              y3="-0.94717912"
                              z3="0.05031264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.78062447"
                              y3="0.49331742"
                              z3="1.05230639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.01423377"
                              y3="-0.08608758"
                              z3="0.6592223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.35085605"
                              y3="1.46039157"
                              z3="0.03096135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.84040582"
                              y3="0.1650987"
                              z3="-1.11606303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52141013"
                              y3="-2.26344147"
                              z3="-0.00086918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23137358"
                              y3="-2.50387093"
                              z3="0.14407971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.26754985"
                              y3="2.09758893"
                              z3="-0.0574736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.70931223"
                              y3="2.81787226"
                              z3="-0.17170161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.38004786"
                              y3="2.58431045"
                              z3="0.08095892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.117,.591,-.0261;-.6037,-1.6188,.0798;.7477,-1.5015,.0097;1.0432,-.1572,-.0526;-1.1279,-.346,.0558;-2.5344,-.0217,.1133;2.3879,.3714,-.1271;-2.8089,.6325,-.7245;-3.1159,-.9472,.0503;-2.7806,.4933,1.0523;3.0142,-.0861,.6592;2.3509,1.4604,.031;2.8404,.1651,-1.1161;1.5214,-2.2634,-.0009;-1.2314,-2.5039,.1441;-.2675,2.0976,-.0575;.7093,2.8179,-.1717;-1.38,2.5843,.081;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.532386802830</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758817415173</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008174782429 0.002824238101 0.044012561258 0.017592110164</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.000014080 0.002217449 0.004091351 0.006078628 0.007360492 0.009009767 0.012190864 0.014179945 0.026388940 0.037732687 0.037812428 0.042566386 0.045520317 0.056084858 0.062646011 0.068237408 0.085049213 0.094681846 0.096636861 0.099784826 0.108423237 0.120193086 0.122333473 0.135486029 0.138197914 0.177370813 0.218377161 0.245460820 0.255287979 0.262073777 0.304700624 0.334756233 0.344622364 0.474771742 0.537021717 0.654524212 0.733183734 0.801439263 0.845503760 0.887318678 0.893250448 0.902375148 0.925483457 1.091829446 1.122292103 1.154001332 1.160783274 1.500611899</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">23</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11298826"
                              y3="0.59543819"
                              z3="-0.01826527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60178426"
                              y3="-1.61301459"
                              z3="0.07752077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.75011574"
                              y3="-1.49828279"
                              z3="0.01755432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04672348"
                              y3="-0.15513814"
                              z3="-0.04094646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12531083"
                              y3="-0.3400132"
                              z3="0.05085891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53180247"
                              y3="-0.01862101"
                              z3="0.10437902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.39159728"
                              y3="0.36857457"
                              z3="-0.13109955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.81741448"
                              y3="0.59514283"
                              z3="-0.7594963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11405163"
                              y3="-0.94700007"
                              z3="0.08786379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.7664275"
                              y3="0.53732998"
                              z3="1.02076115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.03194055"
                              y3="-0.12123567"
                              z3="0.61839697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.37139084"
                              y3="1.44442063"
                              z3="0.06706296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.8149714"
                              y3="0.19428006"
                              z3="-1.13389595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52329034"
                              y3="-2.26176945"
                              z3="0.0171295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23048672"
                              y3="-2.49615372"
                              z3="0.14061494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.28274287"
                              y3="2.09826979"
                              z3="-0.04653807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.6882226"
                              y3="2.81114206"
                              z3="-0.14980396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.38761021"
                              y3="2.57427354"
                              z3="0.07791025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.113,.5954,-.0183;-.6018,-1.613,.0775;.7501,-1.4983,.0176;1.0467,-.1551,-.0409;-1.1253,-.34,.0509;-2.5318,-.0186,.1044;2.3916,.3686,-.1311;-2.8174,.5951,-.7595;-3.1141,-.947,.0879;-2.7664,.5373,1.0208;3.0319,-.1212,.6184;2.3714,1.4444,.0671;2.815,.1943,-1.1339;1.5233,-2.2618,.0171;-1.2305,-2.4962,.1406;-.2827,2.0983,-.0465;.6882,2.8111,-.1498;-1.3876,2.5743,.0779;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.532599242980</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758766029120</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005272883020 0.001662106808 0.083185523938 0.024471180974</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.000014913 0.002281362 0.004211581 0.005492752 0.007780942 0.009037567 0.013420076 0.014230911 0.026397578 0.037756099 0.038337486 0.042608359 0.047378563 0.056061888 0.062496133 0.068255488 0.083640057 0.094709864 0.096594933 0.100264611 0.108445773 0.117411210 0.123502752 0.137400786 0.145364868 0.170333800 0.221585952 0.242187883 0.255361686 0.267109433 0.313539085 0.321090431 0.366149982 0.491108549 0.531717415 0.657564433 0.734976075 0.801461674 0.843573189 0.887495878 0.895232051 0.911316473 0.936450308 1.095762883 1.122869186 1.152999745 1.172871078 1.500250516</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">24</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11203579"
                              y3="0.59568427"
                              z3="-0.00683694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60212075"
                              y3="-1.61294987"
                              z3="0.06812925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.75076412"
                              y3="-1.49851853"
                              z3="0.01440456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.0479353"
                              y3="-0.15542423"
                              z3="-0.02958804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12540204"
                              y3="-0.34015245"
                              z3="0.05153695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53198546"
                              y3="-0.0194118"
                              z3="0.1044937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.39118337"
                              y3="0.36910106"
                              z3="-0.12849882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.83953694"
                              y3="0.52757088"
                              z3="-0.80138325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11238541"
                              y3="-0.95180853"
                              z3="0.17104932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.74762231"
                              y3="0.60489522"
                              z3="0.98400507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.04513499"
                              y3="-0.15540212"
                              z3="0.5888874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.37651688"
                              y3="1.4396978"
                              z3="0.11775087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.7944125"
                              y3="0.23572173"
                              z3="-1.15063087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52386571"
                              y3="-2.26234607"
                              z3="0.00961152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23159171"
                              y3="-2.49573774"
                              z3="0.1222998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.27909548"
                              y3="2.09904132"
                              z3="-0.0386868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.69851425"
                              y3="2.80512458"
                              z3="-0.10811673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.39891823"
                              y3="2.58255748"
                              z3="0.03158002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.112,.5957,-.0068;-.6021,-1.6129,.0681;.7508,-1.4985,.0144;1.0479,-.1554,-.0296;-1.1254,-.3402,.0515;-2.532,-.0194,.1045;2.3912,.3691,-.1285;-2.8395,.5276,-.8014;-3.1124,-.9518,.171;-2.7476,.6049,.984;3.0451,-.1554,.5889;2.3765,1.4397,.1178;2.7944,.2357,-1.1506;1.5239,-2.2623,.0096;-1.2316,-2.4957,.1223;-.2791,2.099,-.0387;.6985,2.8051,-.1081;-1.3989,2.5826,.0316;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.532646800173</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758843137934</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008209672585 0.002864651368 0.136157994507 0.035294184409</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.000803245 0.002215038 0.002297008 0.004552769 0.007373084 0.009024417 0.011358160 0.014533023 0.026572379 0.037392986 0.037885035 0.042530593 0.045967770 0.056073089 0.063219675 0.067607752 0.081875791 0.094921212 0.096607239 0.099314868 0.108498019 0.117050394 0.123858839 0.137212518 0.147688033 0.178273220 0.228642158 0.255320920 0.259051155 0.268128351 0.311114598 0.318582813 0.353315482 0.499827963 0.554957523 0.636507123 0.763191754 0.828941435 0.860939933 0.890391363 0.893361655 0.903340875 0.941952547 1.090813562 1.123913955 1.157688903 1.171910971 1.501533931</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">25</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11770868"
                              y3="0.58833279"
                              z3="-0.01831337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60414195"
                              y3="-1.62085881"
                              z3="0.05955526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74756447"
                              y3="-1.50410183"
                              z3="0.023482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.0442817"
                              y3="-0.15892797"
                              z3="-0.02061754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12792541"
                              y3="-0.34795924"
                              z3="0.03635038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53445926"
                              y3="-0.02137442"
                              z3="0.12078688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.38452509"
                              y3="0.37053703"
                              z3="-0.13780556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.8489001"
                              y3="0.58298772"
                              z3="-0.7500946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.10817115"
                              y3="-0.95928791"
                              z3="0.14075953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.75364001"
                              y3="0.55110995"
                              z3="1.04489469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.03079878"
                              y3="-0.08589601"
                              z3="0.58998558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.3819647"
                              y3="1.43430208"
                              z3="0.04092589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.78837945"
                              y3="0.19315703"
                              z3="-1.12107245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52175661"
                              y3="-2.26588109"
                              z3="0.02699645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23346784"
                              y3="-2.50381698"
                              z3="0.09858664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.25702906"
                              y3="2.09703073"
                              z3="-0.04619793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.73919767"
                              y3="2.84427557"
                              z3="0.01636312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.40539199"
                              y3="2.57401437"
                              z3="-0.10457798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1177,.5883,-.0183;-.6041,-1.6209,.0596;.7476,-1.5041,.0235;1.0443,-.1589,-.0206;-1.1279,-.348,.0364;-2.5345,-.0214,.1208;2.3845,.3705,-.1378;-2.8489,.583,-.7501;-3.1082,-.9593,.1408;-2.7536,.5511,1.0449;3.0308,-.0859,.59;2.382,1.4343,.0409;2.7884,.1932,-1.1211;1.5218,-2.2659,.027;-1.2335,-2.5038,.0986;-.257,2.097,-.0462;.7392,2.8443,.0164;-1.4054,2.574,-.1046;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.530519000695</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758965587034</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.031537089450 0.010212937391 0.047119200433 0.011764542979</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.001489272 0.002284858 0.004507337 0.007242614 0.007941480 0.009038409 0.014223302 0.016643744 0.026566805 0.037619347 0.038429318 0.042411327 0.044706218 0.056118360 0.063232635 0.067207850 0.082124655 0.094898039 0.096771141 0.098902495 0.108448359 0.117306429 0.123731231 0.137242540 0.149026344 0.197663358 0.233314839 0.255256097 0.259042199 0.259762933 0.315559406 0.337146573 0.376000392 0.511914616 0.605880391 0.661604802 0.773433899 0.832889381 0.860429023 0.888217638 0.893560740 0.902568866 0.936659561 1.090359148 1.124807024 1.156702159 1.158699555 1.500189857</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">26</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11572572"
                              y3="0.59195446"
                              z3="-0.01433657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60402798"
                              y3="-1.61754483"
                              z3="0.06162323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74816539"
                              y3="-1.50157223"
                              z3="0.02579201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04472757"
                              y3="-0.15727904"
                              z3="-0.01702536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12785177"
                              y3="-0.34417975"
                              z3="0.03792677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53437943"
                              y3="-0.0214465"
                              z3="0.11662212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.38594317"
                              y3="0.37080257"
                              z3="-0.13291866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.84339281"
                              y3="0.57903257"
                              z3="-0.75101396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11128437"
                              y3="-0.95332807"
                              z3="0.13198874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.75181264"
                              y3="0.54906189"
                              z3="1.03259349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.04631791"
                              y3="-0.1088"
                              z3="0.59803586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.37295151"
                              y3="1.44435378"
                              z3="0.05980398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.7880923"
                              y3="0.20100033"
                              z3="-1.14057884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52170787"
                              y3="-2.26434804"
                              z3="0.0287692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23290132"
                              y3="-2.50166483"
                              z3="0.10273467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.26644668"
                              y3="2.09869371"
                              z3="-0.04818443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.71974947"
                              y3="2.82450107"
                              z3="-0.03075608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.39219948"
                              y3="2.57840591"
                              z3="-0.06106917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1157,.592,-.0143;-.604,-1.6175,.0616;.7482,-1.5016,.0258;1.0447,-.1573,-.017;-1.1279,-.3442,.0379;-2.5344,-.0214,.1166;2.3859,.3708,-.1329;-2.8434,.579,-.751;-3.1113,-.9533,.132;-2.7518,.5491,1.0326;3.0463,-.1088,.598;2.373,1.4444,.0598;2.7881,.201,-1.1406;1.5217,-2.2643,.0288;-1.2329,-2.5017,.1027;-.2664,2.0987,-.0482;.7197,2.8245,-.0308;-1.3922,2.5784,-.0611;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.532517493862</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758852571008</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008743219365 0.002398989930 0.050874008951 0.015824256581</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.001474377 0.002277910 0.004481205 0.007156810 0.007950072 0.009041778 0.014227297 0.017068120 0.026579627 0.037656292 0.038610781 0.042482433 0.044876295 0.056141407 0.063260296 0.067216028 0.082602762 0.094839169 0.096763748 0.098800860 0.108415692 0.117195215 0.123765353 0.137072300 0.143111870 0.193197959 0.234117566 0.255257983 0.258630605 0.259746975 0.315731077 0.339352179 0.351095945 0.478145307 0.587896044 0.645115860 0.753247258 0.823975560 0.850112994 0.888795228 0.893199923 0.903491951 0.937929163 1.088418052 1.122279727 1.156150639 1.157756522 1.500191541</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">27</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11389854"
                              y3="0.59180749"
                              z3="-0.01679177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60276775"
                              y3="-1.61745254"
                              z3="0.06712584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74913608"
                              y3="-1.50119752"
                              z3="0.01453023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04609223"
                              y3="-0.15652296"
                              z3="-0.03156238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12589597"
                              y3="-0.34401156"
                              z3="0.04724205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.5313836"
                              y3="-0.01889529"
                              z3="0.11343598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.3872441"
                              y3="0.37112515"
                              z3="-0.12898459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.83939706"
                              y3="0.55360187"
                              z3="-0.77435068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11010251"
                              y3="-0.95004138"
                              z3="0.15842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.74664934"
                              y3="0.58291742"
                              z3="1.00940265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.03527672"
                              y3="-0.14291239"
                              z3="0.58933569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.37333835"
                              y3="1.4423294"
                              z3="0.11067799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.7924493"
                              y3="0.23437117"
                              z3="-1.14129097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52245209"
                              y3="-2.26395706"
                              z3="0.00980061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23211603"
                              y3="-2.50157985"
                              z3="0.12110513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.27150324"
                              y3="2.09683303"
                              z3="-0.04975685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.69733792"
                              y3="2.81831258"
                              z3="-0.07184804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.38197974"
                              y3="2.57291543"
                              z3="-0.02648388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1139,.5918,-.0168;-.6028,-1.6175,.0671;.7491,-1.5012,.0145;1.0461,-.1565,-.0316;-1.1259,-.344,.0472;-2.5314,-.0189,.1134;2.3872,.3711,-.129;-2.8394,.5536,-.7744;-3.1101,-.95,.1584;-2.7466,.5829,1.0094;3.0353,-.1429,.5893;2.3733,1.4423,.1107;2.7924,.2344,-1.1413;1.5225,-2.264,.0098;-1.2321,-2.5016,.1211;-.2715,2.0968,-.0498;.6973,2.8183,-.0718;-1.382,2.5729,-.0265;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.532752588242</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758738145886</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006444731929 0.001697956531 0.020037117652 0.007269234701</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.001351944 0.002356901 0.002917067 0.005686304 0.007741668 0.009058014 0.011546499 0.015264079 0.026604010 0.037573018 0.038474717 0.042948455 0.046565575 0.056181301 0.063395188 0.067593700 0.083179529 0.094783912 0.097206009 0.099800092 0.108563443 0.119604116 0.126131479 0.134570713 0.143372934 0.192545005 0.232500575 0.255380023 0.259019959 0.265323831 0.315912500 0.342824695 0.349375877 0.501857151 0.599669977 0.650716838 0.737025719 0.835255421 0.846418862 0.888228058 0.893141579 0.908524271 0.972896010 1.102651883 1.125539331 1.160080353 1.160990393 1.499950408</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">28</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11424974"
                              y3="0.5915608"
                              z3="-0.00716615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60263175"
                              y3="-1.61765408"
                              z3="0.07420056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74896849"
                              y3="-1.5013078"
                              z3="0.02121137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04564738"
                              y3="-0.1567315"
                              z3="-0.02327138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12587908"
                              y3="-0.34453253"
                              z3="0.05668545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53184731"
                              y3="-0.01940145"
                              z3="0.10740551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.38759008"
                              y3="0.37165314"
                              z3="-0.13029295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.82826334"
                              y3="0.55097051"
                              z3="-0.78412988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11032523"
                              y3="-0.94938471"
                              z3="0.14715297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.75898594"
                              y3="0.58472388"
                              z3="0.99838017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.05059146"
                              y3="-0.15201922"
                              z3="0.57417526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.37466236"
                              y3="1.43825844"
                              z3="0.11731149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.78073558"
                              y3="0.24734527"
                              z3="-1.15238655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52211111"
                              y3="-2.26410524"
                              z3="0.01370406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23160743"
                              y3="-2.50169763"
                              z3="0.12602081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.27343612"
                              y3="2.09622637"
                              z3="-0.04482522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.69945845"
                              y3="2.81402923"
                              z3="-0.08772175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.38490596"
                              y3="2.57970951"
                              z3="-0.00644676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1142,.5916,-.0072;-.6026,-1.6177,.0742;.749,-1.5013,.0212;1.0456,-.1567,-.0233;-1.1259,-.3445,.0567;-2.5318,-.0194,.1074;2.3876,.3717,-.1303;-2.8283,.551,-.7841;-3.1103,-.9494,.1472;-2.759,.5847,.9984;3.0506,-.152,.5742;2.3747,1.4383,.1173;2.7807,.2473,-1.1524;1.5221,-2.2641,.0137;-1.2316,-2.5017,.126;-.2734,2.0962,-.0448;.6995,2.814,-.0877;-1.3849,2.5797,-.0064;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.532833032836</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758750276032</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002254118629 0.000861717276 0.040409271447 0.010482911859</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.001151707 0.002467117 0.002899891 0.003726064 0.008170864 0.009052807 0.011234521 0.015598987 0.026453814 0.037535256 0.038352169 0.043280383 0.046216508 0.056446626 0.064144118 0.066871852 0.083263643 0.094782496 0.098802404 0.100804920 0.108534909 0.117767607 0.130474193 0.132765392 0.138737454 0.190837188 0.230517954 0.255046500 0.258693726 0.264119562 0.314737065 0.327801260 0.357668553 0.466434399 0.587452691 0.636940106 0.719537347 0.804148965 0.854578305 0.888974440 0.892655743 0.907769697 1.036123848 1.107807867 1.123687744 1.159275228 1.183182111 1.501763379</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">29</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11374461"
                              y3="0.59142203"
                              z3="-0.00499691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60226606"
                              y3="-1.61772462"
                              z3="0.07747571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74910175"
                              y3="-1.50145332"
                              z3="0.02416435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04582472"
                              y3="-0.15692179"
                              z3="-0.01915891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12517424"
                              y3="-0.344407"
                              z3="0.06144937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.5323945"
                              y3="-0.01948766"
                              z3="0.10521624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.38713102"
                              y3="0.37218857"
                              z3="-0.12816859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.82808594"
                              y3="0.53761913"
                              z3="-0.79603231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11037323"
                              y3="-0.94912189"
                              z3="0.15930055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.76148787"
                              y3="0.59806422"
                              z3="0.98680308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.05978145"
                              y3="-0.17834532"
                              z3="0.54816109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.38215183"
                              y3="1.43062297"
                              z3="0.15772076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.76421155"
                              y3="0.28356938"
                              z3="-1.16170733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52190532"
                              y3="-2.26446571"
                              z3="0.0163235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23115778"
                              y3="-2.50194318"
                              z3="0.1292778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.27394194"
                              y3="2.09546882"
                              z3="-0.04760627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.70276648"
                              y3="2.81455617"
                              z3="-0.10010911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.38661495"
                              y3="2.57800219"
                              z3="-0.00810601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1137,.5914,-.005;-.6023,-1.6177,.0775;.7491,-1.5015,.0242;1.0458,-.1569,-.0192;-1.1252,-.3444,.0614;-2.5324,-.0195,.1052;2.3871,.3722,-.1282;-2.8281,.5376,-.796;-3.1104,-.9491,.1593;-2.7615,.5981,.9868;3.0598,-.1783,.5482;2.3822,1.4306,.1577;2.7642,.2836,-1.1617;1.5219,-2.2645,.0163;-1.2312,-2.5019,.1293;-.2739,2.0955,-.0476;.7028,2.8146,-.1001;-1.3866,2.578,-.0081;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.532906400408</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758749967821</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002905924729 0.001085097805 0.061510316064 0.015119501276</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.000790076 0.002128413 0.002468830 0.003146137 0.008124507 0.009120773 0.010803225 0.015612220 0.026362599 0.037303806 0.038356279 0.043193113 0.045987261 0.056577012 0.063262437 0.066437792 0.083415272 0.094997220 0.098437543 0.101650017 0.108502027 0.116184890 0.126708573 0.131661588 0.139588435 0.186094899 0.228278216 0.255381402 0.262585039 0.272339919 0.316018874 0.318111350 0.355496740 0.455655145 0.583940356 0.682268102 0.778853891 0.843104042 0.862521619 0.890908180 0.900273549 0.932447649 1.025684388 1.107300895 1.129199226 1.161766662 1.182703335 1.502229779</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">30</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.113168"
                              y3="0.59027784"
                              z3="-0.00367128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60230303"
                              y3="-1.61842195"
                              z3="0.08213135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74913803"
                              y3="-1.50265392"
                              z3="0.0302461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04607962"
                              y3="-0.15830956"
                              z3="-0.01324375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12462623"
                              y3="-0.3446994"
                              z3="0.0658601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53272653"
                              y3="-0.01944628"
                              z3="0.10376899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.38570519"
                              y3="0.37396589"
                              z3="-0.12398988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.82671473"
                              y3="0.53239945"
                              z3="-0.80169911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11129013"
                              y3="-0.94775715"
                              z3="0.1632964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.76342088"
                              y3="0.60232652"
                              z3="0.98090081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.06994193"
                              y3="-0.21275251"
                              z3="0.50839883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.39141206"
                              y3="1.41729272"
                              z3="0.21923108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.74035532"
                              y3="0.340524"
                              z3="-1.16937482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52157502"
                              y3="-2.26605836"
                              z3="0.0246433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23145253"
                              y3="-2.50235141"
                              z3="0.13301222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.2714576"
                              y3="2.09409111"
                              z3="-0.05579608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.7077368"
                              y3="2.81412945"
                              z3="-0.13286322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.38715132"
                              y3="2.57508657"
                              z3="-0.01084401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1132,.5903,-.0037;-.6023,-1.6184,.0821;.7491,-1.5027,.0302;1.0461,-.1583,-.0132;-1.1246,-.3447,.0659;-2.5327,-.0194,.1038;2.3857,.374,-.124;-2.8267,.5324,-.8017;-3.1113,-.9478,.1633;-2.7634,.6023,.9809;3.0699,-.2128,.5084;2.3914,1.4173,.2192;2.7404,.3405,-1.1694;1.5216,-2.2661,.0246;-1.2315,-2.5024,.133;-.2715,2.0941,-.0558;.7077,2.8141,-.1329;-1.3872,2.5751,-.0108;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.533014426009</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758749967020</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004670876509 0.001516446350 0.084687275144 0.021810453161</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.000743175 0.002007312 0.002470687 0.003608467 0.008051401 0.009079449 0.010660680 0.015607847 0.026248310 0.036857951 0.038346873 0.043075837 0.046034024 0.056568538 0.062269394 0.066176070 0.083569436 0.093286606 0.097885610 0.101298571 0.108636167 0.114324822 0.122563861 0.131715693 0.140256811 0.172056625 0.215736812 0.255433410 0.262961638 0.269289791 0.309420879 0.318838090 0.361768030 0.456397285 0.570237146 0.675604866 0.786991405 0.831221159 0.853429231 0.890246222 0.897342826 0.936033406 1.029039945 1.115003976 1.130131029 1.168639175 1.178692259 1.501293231</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">31</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11160367"
                              y3="0.5889814"
                              z3="-0.00157102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60254242"
                              y3="-1.61911784"
                              z3="0.08729451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74960249"
                              y3="-1.50392225"
                              z3="0.04133364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04745733"
                              y3="-0.15965501"
                              z3="-0.00143836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12392785"
                              y3="-0.34490871"
                              z3="0.0673651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53128715"
                              y3="-0.01755955"
                              z3="0.10243745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.38452669"
                              y3="0.3766117"
                              z3="-0.11888577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.8259844"
                              y3="0.52776819"
                              z3="-0.80726595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11178999"
                              y3="-0.94465376"
                              z3="0.17096315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.75798587"
                              y3="0.61183474"
                              z3="0.97476535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.08730282"
                              y3="-0.26325107"
                              z3="0.44393918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.40733683"
                              y3="1.39440936"
                              z3="0.30391835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.70170922"
                              y3="0.42233087"
                              z3="-1.1790365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52149074"
                              y3="-2.2679893"
                              z3="0.04029278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23258157"
                              y3="-2.50287966"
                              z3="0.13708333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.27102283"
                              y3="2.09099047"
                              z3="-0.06607273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.70640187"
                              y3="2.81363626"
                              z3="-0.15603792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.38946925"
                              y3="2.56501716"
                              z3="-0.03907759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1116,.589,-.0016;-.6025,-1.6191,.0873;.7496,-1.5039,.0413;1.0475,-.1597,-.0014;-1.1239,-.3449,.0674;-2.5313,-.0176,.1024;2.3845,.3766,-.1189;-2.826,.5278,-.8073;-3.1118,-.9447,.171;-2.758,.6118,.9748;3.0873,-.2633,.4439;2.4073,1.3944,.3039;2.7017,.4223,-1.179;1.5215,-2.268,.0403;-1.2326,-2.5029,.1371;-.271,2.091,-.0661;.7064,2.8136,-.156;-1.3895,2.565,-.0391;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.533133801429</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758744714564</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.009662098911 0.002579589230 0.085717695404 0.024039822511</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.001060119 0.001980354 0.002621452 0.004006398 0.007975828 0.009085575 0.010586879 0.015609570 0.026184408 0.036451108 0.038284020 0.042934707 0.046180109 0.056600596 0.063001510 0.066383167 0.083632131 0.092041176 0.098619767 0.100679962 0.108587881 0.119883808 0.124220871 0.135366083 0.140516091 0.174989319 0.214504076 0.255500107 0.263058242 0.267474548 0.312588532 0.321319986 0.350931228 0.456162166 0.546419879 0.667370455 0.788937304 0.816584814 0.852064888 0.891021861 0.896731682 0.916767061 1.028595591 1.112608411 1.126760770 1.163020608 1.188115965 1.501591308</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">32</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.1098761"
                              y3="0.58664221"
                              z3="-0.00342572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60365196"
                              y3="-1.61997191"
                              z3="0.0904213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.75003859"
                              y3="-1.50650891"
                              z3="0.05132702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04915259"
                              y3="-0.16292405"
                              z3="0.00633634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12388969"
                              y3="-0.34499691"
                              z3="0.06483808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53009312"
                              y3="-0.01611782"
                              z3="0.10615759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.38190274"
                              y3="0.38099232"
                              z3="-0.10673324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.82552547"
                              y3="0.55099966"
                              z3="-0.78988711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11539441"
                              y3="-0.9424551"
                              z3="0.15268286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.75062752"
                              y3="0.59070982"
                              z3="0.99289322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.0908057"
                              y3="-0.29462493"
                              z3="0.38072727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.42551576"
                              y3="1.36006617"
                              z3="0.38730198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.66722122"
                              y3="0.50804857"
                              z3="-1.15978061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52130194"
                              y3="-2.27176836"
                              z3="0.05830924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23529898"
                              y3="-2.50279911"
                              z3="0.13755389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.26668124"
                              y3="2.08726433"
                              z3="-0.08739217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.71139454"
                              y3="2.81228465"
                              z3="-0.22823968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.38866159"
                              y3="2.55280237"
                              z3="-0.05308327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1099,.5866,-.0034;-.6037,-1.62,.0904;.75,-1.5065,.0513;1.0492,-.1629,.0063;-1.1239,-.345,.0648;-2.5301,-.0161,.1062;2.3819,.381,-.1067;-2.8255,.551,-.7899;-3.1154,-.9425,.1527;-2.7506,.5907,.9929;3.0908,-.2946,.3807;2.4255,1.3601,.3873;2.6672,.508,-1.1598;1.5213,-2.2718,.0583;-1.2353,-2.5028,.1376;-.2667,2.0873,-.0874;.7114,2.8123,-.2282;-1.3887,2.5528,-.0531;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.533269772142</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758783425583</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007316956241 0.002462881157 0.090314681257 0.023644390117</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.000809719 0.002063789 0.002625008 0.004261346 0.008369434 0.009170978 0.011705572 0.015606110 0.026550576 0.037966707 0.038476138 0.043378791 0.046471142 0.056593817 0.064750037 0.067465268 0.083690906 0.094742962 0.098532914 0.100884025 0.108703154 0.119956798 0.131370934 0.139730103 0.143689700 0.180401719 0.217029939 0.255402755 0.263260432 0.267142543 0.317715228 0.340747434 0.357835303 0.498237686 0.535019585 0.663423279 0.766496206 0.806420212 0.855131764 0.891438608 0.897467600 0.914038200 1.037721311 1.112880220 1.125578118 1.162935461 1.187673005 1.502464489</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">33</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.10924224"
                              y3="0.58463593"
                              z3="0.00359236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60403131"
                              y3="-1.62139217"
                              z3="0.09839175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74995534"
                              y3="-1.50820398"
                              z3="0.06156689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04946583"
                              y3="-0.16458584"
                              z3="0.0180197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12430873"
                              y3="-0.34674303"
                              z3="0.07119001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.5301184"
                              y3="-0.01729247"
                              z3="0.10869913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.37915064"
                              y3="0.38471595"
                              z3="-0.1016696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.82280859"
                              y3="0.54626771"
                              z3="-0.78933026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11462091"
                              y3="-0.94334822"
                              z3="0.15574378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.75442642"
                              y3="0.59377922"
                              z3="0.99209617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.10605362"
                              y3="-0.34076814"
                              z3="0.3074551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.44184082"
                              y3="1.33091069"
                              z3="0.47303583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.62605061"
                              y3="0.59836325"
                              z3="-1.16398969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52073074"
                              y3="-2.27381119"
                              z3="0.06784259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23614663"
                              y3="-2.50394511"
                              z3="0.14383033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.26221385"
                              y3="2.08603424"
                              z3="-0.0992138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.713549"
                              y3="2.80494217"
                              z3="-0.23907907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.38124651"
                              y3="2.558084"
                              z3="-0.10817422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1092,.5846,.0036;-.604,-1.6214,.0984;.75,-1.5082,.0616;1.0495,-.1646,.018;-1.1243,-.3467,.0712;-2.5301,-.0173,.1087;2.3792,.3847,-.1017;-2.8228,.5463,-.7893;-3.1146,-.9433,.1557;-2.7544,.5938,.9921;3.1061,-.3408,.3075;2.4418,1.3309,.473;2.6261,.5984,-1.164;1.5207,-2.2738,.0678;-1.2361,-2.5039,.1438;-.2622,2.086,-.0992;.7135,2.8049,-.2391;-1.3812,2.5581,-.1082;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.533309261118</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758754508010</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.012632773905 0.003841050841 0.071719963683 0.016851913154</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.001960805 0.002496398 0.003331994 0.003699876 0.007847195 0.009144634 0.010470302 0.015616434 0.026403785 0.037157433 0.038292278 0.042901251 0.046216080 0.056424872 0.063741309 0.066899387 0.083309555 0.094184157 0.098991201 0.101935260 0.108683741 0.118586583 0.128021785 0.134959669 0.142050425 0.202931204 0.235652459 0.255319532 0.260457173 0.268534815 0.318200940 0.340560961 0.393582371 0.458406799 0.620099469 0.658800240 0.733988334 0.833700081 0.858063402 0.888409387 0.895148050 0.911575400 1.020950889 1.110658690 1.122320387 1.163294413 1.190092148 1.501163506</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">34</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11057217"
                              y3="0.58624433"
                              z3="0.0071904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.6033955"
                              y3="-1.62085838"
                              z3="0.09933054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74951789"
                              y3="-1.50612261"
                              z3="0.05762127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04812209"
                              y3="-0.16178492"
                              z3="0.0141877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12502385"
                              y3="-0.34732942"
                              z3="0.07317658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53052926"
                              y3="-0.01822519"
                              z3="0.10819948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.38075881"
                              y3="0.38261505"
                              z3="-0.11142466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.8195146"
                              y3="0.5380237"
                              z3="-0.79447907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11126958"
                              y3="-0.94591687"
                              z3="0.15919075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.76224222"
                              y3="0.60271552"
                              z3="0.98684504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.10409835"
                              y3="-0.31317632"
                              z3="0.33409788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.43437079"
                              y3="1.34305573"
                              z3="0.41149003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.64356871"
                              y3="0.5452332"
                              z3="-1.16735419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52075088"
                              y3="-2.27074064"
                              z3="0.05681355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23430142"
                              y3="-2.50421333"
                              z3="0.14745718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.26420212"
                              y3="2.08847028"
                              z3="-0.08383223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.70578007"
                              y3="2.8013133"
                              z3="-0.1673591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.37828385"
                              y3="2.56833957"
                              z3="-0.13114415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1106,.5862,.0072;-.6034,-1.6209,.0993;.7495,-1.5061,.0576;1.0481,-.1618,.0142;-1.125,-.3473,.0732;-2.5305,-.0182,.1082;2.3808,.3826,-.1114;-2.8195,.538,-.7945;-3.1113,-.9459,.1592;-2.7622,.6027,.9868;3.1041,-.3132,.3341;2.4344,1.3431,.4115;2.6436,.5452,-1.1674;1.5208,-2.2707,.0568;-1.2343,-2.5042,.1475;-.2642,2.0885,-.0838;.7058,2.8013,-.1674;-1.3783,2.5683,-.1311;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.533439770677</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758727041198</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005037885309 0.001489946303 0.032931466183 0.008021463836</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.001998329 0.002529595 0.003541842 0.004908921 0.008179966 0.009164952 0.010693288 0.016015540 0.026618671 0.037242231 0.038273068 0.042970027 0.046149328 0.056477457 0.064898013 0.066854258 0.083421064 0.093926391 0.098630901 0.103170105 0.108681006 0.120596395 0.128839765 0.137911129 0.142262941 0.199231131 0.243013224 0.255372046 0.262024151 0.277536042 0.321535628 0.345739292 0.381584211 0.467027857 0.599036172 0.661627546 0.739298086 0.816065484 0.854175416 0.888744616 0.894920410 0.911531080 1.024669953 1.113285472 1.123684306 1.163290500 1.181510815 1.500741726</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">35</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11156882"
                              y3="0.58624461"
                              z3="0.00127212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60350777"
                              y3="-1.62031529"
                              z3="0.10266743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74946259"
                              y3="-1.50592275"
                              z3="0.05781249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.0473619"
                              y3="-0.16214842"
                              z3="0.00750043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12551211"
                              y3="-0.34678696"
                              z3="0.07261079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53176544"
                              y3="-0.01919534"
                              z3="0.10595685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.37965704"
                              y3="0.383682"
                              z3="-0.10976534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.82000461"
                              y3="0.53784236"
                              z3="-0.79727063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11329848"
                              y3="-0.94741448"
                              z3="0.15511819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.76446772"
                              y3="0.59889496"
                              z3="0.98554875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.09844149"
                              y3="-0.32228497"
                              z3="0.32397299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.43962529"
                              y3="1.33583564"
                              z3="0.43483483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.64247774"
                              y3="0.56630252"
                              z3="-1.16377277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52110967"
                              y3="-2.27052349"
                              z3="0.06121283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23381315"
                              y3="-2.5034636"
                              z3="0.15593683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.26323124"
                              y3="2.08855354"
                              z3="-0.08948055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.71272535"
                              y3="2.80260751"
                              z3="-0.20029057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.37605872"
                              y3="2.56573516"
                              z3="-0.10385766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1116,.5862,.0013;-.6035,-1.6203,.1027;.7495,-1.5059,.0578;1.0474,-.1621,.0075;-1.1255,-.3468,.0726;-2.5318,-.0192,.106;2.3797,.3837,-.1098;-2.82,.5378,-.7973;-3.1133,-.9474,.1551;-2.7645,.5989,.9855;3.0984,-.3223,.324;2.4396,1.3358,.4348;2.6425,.5663,-1.1638;1.5211,-2.2705,.0612;-1.2338,-2.5035,.1559;-.2632,2.0886,-.0895;.7127,2.8026,-.2003;-1.3761,2.5657,-.1039;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.533546681173</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758730328888</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003617793684 0.000898379095 0.042749078795 0.011567963777</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.001924087 0.002496622 0.002724884 0.004682982 0.008331883 0.009116864 0.010643982 0.015429766 0.024681907 0.037249750 0.038103429 0.043098230 0.045936242 0.056487778 0.064802547 0.067196466 0.082964462 0.090746820 0.098379257 0.102635214 0.108716830 0.120816396 0.129568865 0.137479438 0.144487626 0.196805630 0.241904844 0.249796396 0.255605524 0.264016454 0.324202438 0.343167936 0.375910529 0.459114003 0.601981670 0.664772173 0.793126627 0.802326195 0.858953870 0.888547589 0.895778229 0.912417567 1.051152288 1.118417018 1.122385000 1.160154164 1.182873918 1.500461520</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">36</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11288485"
                              y3="0.58604449"
                              z3="-0.00315288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60326338"
                              y3="-1.62015495"
                              z3="0.11097531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74961379"
                              y3="-1.5052171"
                              z3="0.06689745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04653353"
                              y3="-0.16174375"
                              z3="0.00716962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12604971"
                              y3="-0.34694881"
                              z3="0.07174181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.5325093"
                              y3="-0.01959882"
                              z3="0.10140193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.37792736"
                              y3="0.38630889"
                              z3="-0.11082528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.81704516"
                              y3="0.54138851"
                              z3="-0.80091431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11511972"
                              y3="-0.94789537"
                              z3="0.14473549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.76811184"
                              y3="0.59406257"
                              z3="0.98321141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.10295095"
                              y3="-0.34070361"
                              z3="0.2824556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.45011967"
                              y3="1.31603235"
                              z3="0.47171514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.62448585"
                              y3="0.6090516"
                              z3="-1.16232519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52170473"
                              y3="-2.26950678"
                              z3="0.07666006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23251403"
                              y3="-2.50359522"
                              z3="0.16970444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.26207124"
                              y3="2.08713896"
                              z3="-0.09406181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.71879158"
                              y3="2.79747772"
                              z3="-0.21450733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.37492523"
                              y3="2.56550231"
                              z3="-0.10087447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1129,.586,-.0032;-.6033,-1.6202,.111;.7496,-1.5052,.0669;1.0465,-.1617,.0072;-1.126,-.3469,.0717;-2.5325,-.0196,.1014;2.3779,.3863,-.1108;-2.817,.5414,-.8009;-3.1151,-.9479,.1447;-2.7681,.5941,.9832;3.103,-.3407,.2825;2.4501,1.316,.4717;2.6245,.6091,-1.1623;1.5217,-2.2695,.0767;-1.2325,-2.5036,.1697;-.2621,2.0871,-.0941;.7188,2.7975,-.2145;-1.3749,2.5655,-.1009;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.533644949974</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758732525459</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006384541868 0.001325582115 0.065957359947 0.016686121492</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.000813668 0.002067240 0.002831617 0.004683466 0.008357413 0.009103694 0.011054578 0.014873805 0.022586658 0.037437521 0.039147567 0.042799422 0.044702812 0.056599605 0.063110406 0.066368800 0.085041565 0.088545808 0.098362067 0.103189086 0.110196726 0.122491124 0.129038427 0.137404081 0.143671063 0.192272383 0.233344478 0.244965119 0.255574190 0.263682774 0.324070394 0.342325307 0.371110373 0.464223372 0.607096361 0.675384796 0.748221494 0.804937571 0.862057136 0.888951569 0.896575418 0.913481136 1.050129508 1.119296972 1.149615452 1.153268506 1.185614903 1.501434785</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">37</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11632103"
                              y3="0.58437265"
                              z3="-0.01427656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60255545"
                              y3="-1.62133273"
                              z3="0.12238494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74973044"
                              y3="-1.50442855"
                              z3="0.07486485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04425316"
                              y3="-0.16142024"
                              z3="-0.00160224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12745082"
                              y3="-0.34947039"
                              z3="0.06975305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53426266"
                              y3="-0.02288036"
                              z3="0.09922173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.3747952"
                              y3="0.39000991"
                              z3="-0.11075221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.8169845"
                              y3="0.54038678"
                              z3="-0.80214334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11646592"
                              y3="-0.95116571"
                              z3="0.13975721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.77224845"
                              y3="0.58836814"
                              z3="0.98229733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.09900684"
                              y3="-0.36160631"
                              z3="0.22749946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.46443627"
                              y3="1.28339003"
                              z3="0.52769071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.60543849"
                              y3="0.67500896"
                              z3="-1.15409202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52289191"
                              y3="-2.26738868"
                              z3="0.091391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.22962274"
                              y3="-2.5052752"
                              z3="0.19116974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.26043378"
                              y3="2.08650653"
                              z3="-0.10771438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.73100232"
                              y3="2.78228083"
                              z3="-0.22179744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.36757627"
                              y3="2.58228736"
                              z3="-0.11364485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1163,.5844,-.0143;-.6026,-1.6213,.1224;.7497,-1.5044,.0749;1.0443,-.1614,-.0016;-1.1275,-.3495,.0698;-2.5343,-.0229,.0992;2.3748,.39,-.1108;-2.817,.5404,-.8021;-3.1165,-.9512,.1398;-2.7722,.5884,.9823;3.099,-.3616,.2275;2.4644,1.2834,.5277;2.6054,.675,-1.1541;1.5229,-2.2674,.0914;-1.2296,-2.5053,.1912;-.2604,2.0865,-.1077;.731,2.7823,-.2218;-1.3676,2.5823,-.1136;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.533797740196</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758709270661</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006486344044 0.001604581766 0.082584709900 0.020857166138</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.001294792 0.002055732 0.002943540 0.004717985 0.008239641 0.009074576 0.011389843 0.014014648 0.020670335 0.037890225 0.039164730 0.041826117 0.044249859 0.056477142 0.060746125 0.066036553 0.082284562 0.087676896 0.098324618 0.103487112 0.111124966 0.124242988 0.132232358 0.137368642 0.163203520 0.188903579 0.221764763 0.245690900 0.255627196 0.264543968 0.324186733 0.343465594 0.363159065 0.465409607 0.572110109 0.673259080 0.683404686 0.803873131 0.859308897 0.888840748 0.911834223 0.925856580 1.057158883 1.121371822 1.144280719 1.154413071 1.204780566 1.501411037</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">38</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.12097489"
                              y3="0.58324116"
                              z3="-0.02982833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60176375"
                              y3="-1.62138826"
                              z3="0.13928439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.7502907"
                              y3="-1.5015518"
                              z3="0.0924921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04137015"
                              y3="-0.15925741"
                              z3="-0.00774773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12963193"
                              y3="-0.35157053"
                              z3="0.06332038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53668542"
                              y3="-0.02626455"
                              z3="0.09033448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.371325"
                              y3="0.39478723"
                              z3="-0.11552466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.81712286"
                              y3="0.5396131"
                              z3="-0.81072837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11784911"
                              y3="-0.95594574"
                              z3="0.12625043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.77796415"
                              y3="0.5828037"
                              z3="0.97511823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.10494006"
                              y3="-0.38781834"
                              z3="0.14491475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.48703952"
                              y3="1.23881904"
                              z3="0.58252492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.57291544"
                              y3="0.74553281"
                              z3="-1.14329815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52558237"
                              y3="-2.26203896"
                              z3="0.12390207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.22646433"
                              y3="-2.50585815"
                              z3="0.22160094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.25793077"
                              y3="2.08762801"
                              z3="-0.12021687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.74084734"
                              y3="2.77173848"
                              z3="-0.21163047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.36029037"
                              y3="2.59517322"
                              z3="-0.12076112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.121,.5832,-.0298;-.6018,-1.6214,.1393;.7503,-1.5016,.0925;1.0414,-.1593,-.0077;-1.1296,-.3516,.0633;-2.5367,-.0263,.0903;2.3713,.3948,-.1155;-2.8171,.5396,-.8107;-3.1178,-.9559,.1263;-2.778,.5828,.9751;3.1049,-.3878,.1449;2.487,1.2388,.5825;2.5729,.7455,-1.1433;1.5256,-2.262,.1239;-1.2265,-2.5059,.2216;-.2579,2.0876,-.1202;.7408,2.7717,-.2116;-1.3603,2.5952,-.1208;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.533924337797</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758676610324</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007386818782 0.002104375386 0.017263647372 0.006020337098</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.001869587 0.002170585 0.002941613 0.004692440 0.008127316 0.009504503 0.011518165 0.013206383 0.019934458 0.037893425 0.039128590 0.040972929 0.044148448 0.055887243 0.059181920 0.065887122 0.079591485 0.087736681 0.097920743 0.103487317 0.111710737 0.123769763 0.134201013 0.137991518 0.161447518 0.181738351 0.216498126 0.248712638 0.255610890 0.265672392 0.322982309 0.345514981 0.355400538 0.470388625 0.530376600 0.676181366 0.683502388 0.826441142 0.859418953 0.888903846 0.909991640 0.926767868 1.088537808 1.119338846 1.145985567 1.158588074 1.279944557 1.501705755</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">39</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.12236244"
                              y3="0.58052125"
                              z3="-0.04083573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60210274"
                              y3="-1.62262927"
                              z3="0.1434342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74992297"
                              y3="-1.50229025"
                              z3="0.09648738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04033572"
                              y3="-0.16086954"
                              z3="-0.01507708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.13042118"
                              y3="-0.35381358"
                              z3="0.05704262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53687008"
                              y3="-0.02713409"
                              z3="0.08790026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.36972578"
                              y3="0.3967564"
                              z3="-0.11813279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.81911486"
                              y3="0.53975325"
                              z3="-0.8113936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11838233"
                              y3="-0.95577673"
                              z3="0.12471832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.77487306"
                              y3="0.58187638"
                              z3="0.97330334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.10058117"
                              y3="-0.374886"
                              z3="0.13174482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.48221692"
                              y3="1.22584987"
                              z3="0.57991019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.57241014"
                              y3="0.75893031"
                              z3="-1.13555714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52559449"
                              y3="-2.26173648"
                              z3="0.13446563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.22673069"
                              y3="-2.50655364"
                              z3="0.23239063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.2553429"
                              y3="2.0848204"
                              z3="-0.12813994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.74751214"
                              y3="2.76182048"
                              z3="-0.19436682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.35446607"
                              y3="2.60300423"
                              z3="-0.11788728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1224,.5805,-.0408;-.6021,-1.6226,.1434;.7499,-1.5023,.0965;1.0403,-.1609,-.0151;-1.1304,-.3538,.057;-2.5369,-.0271,.0879;2.3697,.3968,-.1181;-2.8191,.5398,-.8114;-3.1184,-.9558,.1247;-2.7749,.5819,.9733;3.1006,-.3749,.1317;2.4822,1.2258,.5799;2.5724,.7589,-1.1356;1.5256,-2.2617,.1345;-1.2267,-2.5066,.2324;-.2553,2.0848,-.1281;.7475,2.7618,-.1944;-1.3545,2.603,-.1179;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.533903164402</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758681694391</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008575215988 0.002323035490 0.007560297249 0.002006759797</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.001872721 0.002161364 0.003088572 0.004713264 0.008549621 0.009511793 0.011539454 0.016251475 0.023488721 0.038229192 0.039276216 0.042902385 0.045269099 0.056534012 0.064229891 0.066189890 0.081598673 0.087847452 0.097461991 0.103546299 0.112165819 0.130392398 0.136981738 0.141208476 0.166332160 0.190381071 0.215696556 0.250219062 0.255743349 0.266526060 0.320074506 0.345480900 0.383557886 0.468666483 0.603888126 0.676421494 0.698013468 0.823312376 0.863600981 0.888988178 0.914238229 0.968501588 1.082047449 1.119367564 1.152166501 1.161959192 1.253914922 1.501557033</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">40</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.12117522"
                              y3="0.58112692"
                              z3="-0.03735341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60256803"
                              y3="-1.62210071"
                              z3="0.14244595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74980858"
                              y3="-1.50253572"
                              z3="0.09494544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04089314"
                              y3="-0.16122838"
                              z3="-0.01373919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.13041072"
                              y3="-0.35298648"
                              z3="0.05851137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53685741"
                              y3="-0.02675038"
                              z3="0.08845883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.36956172"
                              y3="0.39615983"
                              z3="-0.11825021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.81902289"
                              y3="0.53912786"
                              z3="-0.81097054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11838886"
                              y3="-0.95535929"
                              z3="0.12500948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.77506438"
                              y3="0.58245181"
                              z3="0.97305979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.10200616"
                              y3="-0.37981733"
                              z3="0.1300254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.48457296"
                              y3="1.2287201"
                              z3="0.58747049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.56976003"
                              y3="0.76162173"
                              z3="-1.13712816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52531381"
                              y3="-2.26221917"
                              z3="0.13314064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.22755991"
                              y3="-2.50613438"
                              z3="0.23166887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.25485198"
                              y3="2.08415912"
                              z3="-0.12718861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.74638597"
                              y3="2.7653369"
                              z3="-0.19917909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.35476998"
                              y3="2.59807056"
                              z3="-0.12092004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1212,.5811,-.0374;-.6026,-1.6221,.1424;.7498,-1.5025,.0949;1.0409,-.1612,-.0137;-1.1304,-.353,.0585;-2.5369,-.0268,.0885;2.3696,.3962,-.1183;-2.819,.5391,-.811;-3.1184,-.9554,.125;-2.7751,.5825,.9731;3.102,-.3798,.13;2.4846,1.2287,.5875;2.5698,.7616,-1.1371;1.5253,-2.2622,.1331;-1.2276,-2.5061,.2317;-.2549,2.0842,-.1272;.7464,2.7653,-.1992;-1.3548,2.5981,-.1209;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.533991640688</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758694140654</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001641815114 0.000522457862 0.009509451682 0.002894234438</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.001773622 0.001907771 0.003064321 0.004646058 0.008484371 0.008715810 0.010793498 0.016069047 0.020683131 0.033438023 0.039300341 0.041174110 0.043772304 0.056482828 0.059081954 0.065369157 0.078620878 0.086730273 0.097555120 0.102939004 0.111604005 0.124499786 0.131126943 0.137792233 0.150659916 0.190452061 0.214515509 0.250224159 0.254571761 0.267963888 0.303978722 0.344986190 0.382118770 0.469356590 0.613376032 0.668691044 0.690327440 0.819897636 0.859106701 0.889119949 0.908732212 0.953132531 1.079802038 1.119142305 1.149158274 1.160830064 1.196926077 1.500183882</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">41</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11912874"
                              y3="0.58089804"
                              z3="-0.03321144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60297008"
                              y3="-1.62197948"
                              z3="0.14141365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74977982"
                              y3="-1.50372037"
                              z3="0.09474434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04226895"
                              y3="-0.16271956"
                              z3="-0.00991953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12991522"
                              y3="-0.35257925"
                              z3="0.06002535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53661217"
                              y3="-0.02620937"
                              z3="0.08858287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.36982071"
                              y3="0.39485821"
                              z3="-0.11340825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.81975726"
                              y3="0.53748318"
                              z3="-0.81194655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11812795"
                              y3="-0.95474012"
                              z3="0.12697979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.77479984"
                              y3="0.58411778"
                              z3="0.9717177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.1055502"
                              y3="-0.3848744"
                              z3="0.12679516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.4874779"
                              y3="1.2279043"
                              z3="0.58896964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.56025057"
                              y3="0.76998752"
                              z3="-1.13410476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52468177"
                              y3="-2.26368487"
                              z3="0.13190448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.22887246"
                              y3="-2.50519253"
                              z3="0.22875349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.2534609"
                              y3="2.0843551"
                              z3="-0.13043479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.74531277"
                              y3="2.77128705"
                              z3="-0.20565156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.35386508"
                              y3="2.59245177"
                              z3="-0.12120258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1191,.5809,-.0332;-.603,-1.622,.1414;.7498,-1.5037,.0947;1.0423,-.1627,-.0099;-1.1299,-.3526,.06;-2.5366,-.0262,.0886;2.3698,.3949,-.1134;-2.8198,.5375,-.8119;-3.1181,-.9547,.127;-2.7748,.5841,.9717;3.1056,-.3849,.1268;2.4875,1.2279,.589;2.5603,.77,-1.1341;1.5247,-2.2637,.1319;-1.2289,-2.5052,.2288;-.2535,2.0844,-.1304;.7453,2.7713,-.2057;-1.3539,2.5925,-.1212;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.534012324480</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758707260033</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006319875782 0.001385144805 0.015218832457 0.004174070827</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.001847176 0.002045232 0.003037862 0.004723604 0.008393659 0.009545253 0.011359864 0.015268172 0.020475292 0.036733367 0.039264978 0.042730093 0.043790619 0.056477906 0.059040034 0.065629720 0.084320797 0.085347859 0.099148599 0.100921370 0.111856808 0.121805432 0.131780517 0.138350576 0.188700436 0.194451551 0.215340053 0.252339096 0.253623874 0.270223522 0.296431117 0.344866450 0.385438768 0.473614422 0.613260302 0.654919508 0.690790119 0.823227448 0.856154401 0.888950772 0.916063993 1.000951302 1.099354941 1.119612214 1.146138779 1.160906935 1.177029248 1.500215133</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">42</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11803658"
                              y3="0.58055589"
                              z3="-0.03318705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60316962"
                              y3="-1.62197197"
                              z3="0.14138518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74967611"
                              y3="-1.50428142"
                              z3="0.09524589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04286728"
                              y3="-0.16332697"
                              z3="-0.00860224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12948025"
                              y3="-0.35253754"
                              z3="0.06085898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53587568"
                              y3="-0.02530923"
                              z3="0.08967127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.37052248"
                              y3="0.39478026"
                              z3="-0.11209608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.81955894"
                              y3="0.53611051"
                              z3="-0.81158755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11746864"
                              y3="-0.95318655"
                              z3="0.13102762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.77305386"
                              y3="0.58762613"
                              z3="0.97105935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.10646103"
                              y3="-0.38728764"
                              z3="0.11374564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.49387305"
                              y3="1.22116367"
                              z3="0.60418847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.55304923"
                              y3="0.78168673"
                              z3="-1.12551108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52406145"
                              y3="-2.26453846"
                              z3="0.13126523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.22974952"
                              y3="-2.50472148"
                              z3="0.22734998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.2536827"
                              y3="2.08245579"
                              z3="-0.13769226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.74318213"
                              y3="2.77165836"
                              z3="-0.21095581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.35598397"
                              y3="2.58876691"
                              z3="-0.12615852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.118,.5806,-.0332;-.6032,-1.622,.1414;.7497,-1.5043,.0952;1.0429,-.1633,-.0086;-1.1295,-.3525,.0609;-2.5359,-.0253,.0897;2.3705,.3948,-.1121;-2.8196,.5361,-.8116;-3.1175,-.9532,.131;-2.7731,.5876,.9711;3.1065,-.3873,.1137;2.4939,1.2212,.6042;2.553,.7817,-1.1255;1.5241,-2.2645,.1313;-1.2297,-2.5047,.2273;-.2537,2.0825,-.1377;.7432,2.7717,-.211;-1.356,2.5888,-.1262;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.534051748017</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758716535632</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003378209528 0.000714483758 0.024856125474 0.006020134248</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.001399379 0.001917708 0.003144712 0.004732637 0.007807867 0.009497988 0.011453212 0.015018366 0.019289755 0.037620322 0.039404465 0.043302448 0.043723276 0.056557580 0.062121030 0.066467524 0.084957596 0.086976594 0.099691461 0.105895842 0.112113081 0.131797045 0.133619280 0.146387444 0.192363197 0.197126362 0.219903295 0.251632146 0.256564031 0.275711509 0.316121783 0.351873092 0.390211659 0.471239337 0.605284341 0.691815713 0.709462253 0.819630870 0.873445530 0.891725469 0.915341011 1.073822791 1.119612608 1.143031190 1.155455117 1.163275152 1.218203098 1.502557482</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">43</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11698612"
                              y3="0.578604"
                              z3="-0.03287303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60382779"
                              y3="-1.6231754"
                              z3="0.14318329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74925532"
                              y3="-1.50663375"
                              z3="0.09900814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04343466"
                              y3="-0.16580522"
                              z3="-0.00484764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12898632"
                              y3="-0.35319302"
                              z3="0.0619372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53482288"
                              y3="-0.02393532"
                              z3="0.08875652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.37009919"
                              y3="0.39596365"
                              z3="-0.11104485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.81782512"
                              y3="0.53206569"
                              z3="-0.81649866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11775156"
                              y3="-0.95099745"
                              z3="0.13667388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.77069966"
                              y3="0.5957432"
                              z3="0.96637288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.10972889"
                              y3="-0.38781615"
                              z3="0.09244669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.49520932"
                              y3="1.20969178"
                              z3="0.62018822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.54228046"
                              y3="0.80654286"
                              z3="-1.12012404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52273634"
                              y3="-2.26803782"
                              z3="0.13491905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23147623"
                              y3="-2.50541227"
                              z3="0.22761376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.25151908"
                              y3="2.07989743"
                              z3="-0.14237275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.74396952"
                              y3="2.76966937"
                              z3="-0.21466807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.35518595"
                              y3="2.58447142"
                              z3="-0.1286636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.117,.5786,-.0329;-.6038,-1.6232,.1432;.7493,-1.5066,.099;1.0434,-.1658,-.0048;-1.129,-.3532,.0619;-2.5348,-.0239,.0888;2.3701,.396,-.111;-2.8178,.5321,-.8165;-3.1178,-.951,.1367;-2.7707,.5957,.9664;3.1097,-.3878,.0924;2.4952,1.2097,.6202;2.5423,.8065,-1.1201;1.5227,-2.268,.1349;-1.2315,-2.5054,.2276;-.2515,2.0799,-.1424;.744,2.7697,-.2147;-1.3552,2.5845,-.1287;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.534076232428</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758703468953</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004687295868 0.000883746188 0.030496781561 0.008684264561</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.001606814 0.001915460 0.003090275 0.004736342 0.007457288 0.010528729 0.011445115 0.013345623 0.021093060 0.037577983 0.039504550 0.043033986 0.043744113 0.056660378 0.061773670 0.066654420 0.084661931 0.087367610 0.099610211 0.106466114 0.112134685 0.132086687 0.138179019 0.155060668 0.190291800 0.211160324 0.220222550 0.255302939 0.269477303 0.276446490 0.315641009 0.351553903 0.408019676 0.469865898 0.605429161 0.693673728 0.758373622 0.820276639 0.871062179 0.890712703 0.916657832 1.098993775 1.118430818 1.152504923 1.159731552 1.175636337 1.354081039 1.505212416</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">44</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11705144"
                              y3="0.57803154"
                              z3="-0.0340232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60358839"
                              y3="-1.62361517"
                              z3="0.14487303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74954001"
                              y3="-1.50680139"
                              z3="0.09966798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04338997"
                              y3="-0.16577185"
                              z3="-0.00502914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12877424"
                              y3="-0.35358649"
                              z3="0.06383499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53459036"
                              y3="-0.02402093"
                              z3="0.08906209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.36936693"
                              y3="0.3973674"
                              z3="-0.10671016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.81911557"
                              y3="0.52153529"
                              z3="-0.82270149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11760288"
                              y3="-0.95076706"
                              z3="0.14934005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.76870824"
                              y3="0.60643982"
                              z3="0.95998756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.10934533"
                              y3="-0.39637349"
                              z3="0.06414057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.5062327"
                              y3="1.19123442"
                              z3="0.6465274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.52885703"
                              y3="0.83703964"
                              z3="-1.10481097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52295231"
                              y3="-2.26853598"
                              z3="0.13488315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23133331"
                              y3="-2.50618768"
                              z3="0.2295005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.2513969"
                              y3="2.07904111"
                              z3="-0.15168042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.74506521"
                              y3="2.76678284"
                              z3="-0.22066016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.35495516"
                              y3="2.58583097"
                              z3="-0.13619477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1171,.578,-.034;-.6036,-1.6236,.1449;.7495,-1.5068,.0997;1.0434,-.1658,-.005;-1.1288,-.3536,.0638;-2.5346,-.024,.0891;2.3694,.3974,-.1067;-2.8191,.5215,-.8227;-3.1176,-.9508,.1493;-2.7687,.6064,.96;3.1093,-.3964,.0641;2.5062,1.1912,.6465;2.5289,.837,-1.1048;1.523,-2.2685,.1349;-1.2313,-2.5062,.2295;-.2514,2.079,-.1517;.7451,2.7668,-.2207;-1.355,2.5858,-.1362;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.534097370716</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758692354496</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005127630278 0.001190016658 0.011789036857 0.003338638824</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.001701671 0.002029832 0.003243660 0.004784168 0.007455366 0.010505781 0.011439050 0.013367979 0.021093007 0.037572921 0.039546985 0.043035704 0.043693020 0.056998299 0.062046879 0.067291081 0.085246785 0.087553086 0.100235217 0.106744431 0.112192087 0.132188436 0.138122073 0.155873017 0.192359620 0.215364582 0.220222476 0.258332400 0.261039171 0.277277459 0.316453344 0.350503957 0.386166063 0.470624696 0.602529618 0.689182292 0.734924173 0.844803881 0.870884929 0.890941208 0.916892508 1.093293539 1.120695111 1.150975944 1.160283010 1.209626752 1.255215266 1.501977024</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">45</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11715684"
                              y3="0.57809457"
                              z3="-0.03321567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.6034952"
                              y3="-1.62360722"
                              z3="0.14612996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74964403"
                              y3="-1.5067295"
                              z3="0.10069787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04337494"
                              y3="-0.16555679"
                              z3="-0.00414655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12866402"
                              y3="-0.35343726"
                              z3="0.06543472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53449209"
                              y3="-0.02380718"
                              z3="0.08783299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.36948265"
                              y3="0.39730304"
                              z3="-0.10685013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.81882906"
                              y3="0.51449624"
                              z3="-0.82854253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11764246"
                              y3="-0.95021972"
                              z3="0.15559749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.76854632"
                              y3="0.61382322"
                              z3="0.95380532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.11042515"
                              y3="-0.3964248"
                              z3="0.05235153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.51055128"
                              y3="1.18263551"
                              z3="0.65232796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.52422083"
                              y3="0.84482935"
                              z3="-1.10026826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52301565"
                              y3="-2.26869242"
                              z3="0.13566725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23129736"
                              y3="-2.50625361"
                              z3="0.23028584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.25170255"
                              y3="2.07926873"
                              z3="-0.15117521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.74443943"
                              y3="2.76698927"
                              z3="-0.21869478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.35569507"
                              y3="2.58493156"
                              z3="-0.13723081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1172,.5781,-.0332;-.6035,-1.6236,.1461;.7496,-1.5067,.1007;1.0434,-.1656,-.0041;-1.1287,-.3534,.0654;-2.5345,-.0238,.0878;2.3695,.3973,-.1069;-2.8188,.5145,-.8285;-3.1176,-.9502,.1556;-2.7685,.6138,.9538;3.1104,-.3964,.0524;2.5106,1.1826,.6523;2.5242,.8448,-1.1003;1.523,-2.2687,.1357;-1.2313,-2.5063,.2303;-.2517,2.0793,-.1512;.7444,2.767,-.2187;-1.3557,2.5849,-.1372;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.534121242388</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758687757491</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002587234554 0.000857841839 0.017091673084 0.004815473470</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.000975203 0.002068530 0.003245073 0.004805851 0.007527285 0.010864216 0.011535134 0.013135243 0.020892717 0.037489692 0.039507007 0.043036234 0.043642254 0.057056971 0.061961220 0.067421213 0.086848958 0.087557257 0.101443667 0.106295034 0.112045601 0.132031779 0.138160531 0.158411954 0.196082791 0.202987789 0.221959615 0.228474257 0.261712027 0.276307092 0.311952172 0.352772680 0.381258888 0.463977494 0.556578056 0.652101068 0.729145531 0.815123795 0.866714496 0.891536813 0.920268160 1.083831044 1.119714848 1.132707108 1.161087727 1.169901679 1.247800805 1.501733062</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">46</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11782892"
                              y3="0.57840424"
                              z3="-0.03494541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60298464"
                              y3="-1.62349594"
                              z3="0.14878048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74991505"
                              y3="-1.50614933"
                              z3="0.10142954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04299888"
                              y3="-0.16478519"
                              z3="-0.0065663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.1285411"
                              y3="-0.35327027"
                              z3="0.06684288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53465024"
                              y3="-0.02409905"
                              z3="0.08752986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.36926003"
                              y3="0.39818435"
                              z3="-0.10577419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.81842028"
                              y3="0.51100428"
                              z3="-0.83006802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11773191"
                              y3="-0.94941838"
                              z3="0.15830076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.76925294"
                              y3="0.61572814"
                              z3="0.950616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.10756611"
                              y3="-0.39964114"
                              z3="0.03525986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.51781399"
                              y3="1.16770411"
                              z3="0.66536592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.52121241"
                              y3="0.86119365"
                              z3="-1.09142857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52348941"
                              y3="-2.26805529"
                              z3="0.13713258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23039901"
                              y3="-2.50640631"
                              z3="0.23476191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.25271011"
                              y3="2.07947768"
                              z3="-0.1516037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.74455292"
                              y3="2.76513335"
                              z3="-0.22220629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.35665666"
                              y3="2.58613411"
                              z3="-0.14342033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1178,.5784,-.0349;-.603,-1.6235,.1488;.7499,-1.5061,.1014;1.043,-.1648,-.0066;-1.1285,-.3533,.0668;-2.5347,-.0241,.0875;2.3693,.3982,-.1058;-2.8184,.511,-.8301;-3.1177,-.9494,.1583;-2.7693,.6157,.9506;3.1076,-.3996,.0353;2.5178,1.1677,.6654;2.5212,.8612,-1.0914;1.5235,-2.2681,.1371;-1.2304,-2.5064,.2348;-.2527,2.0795,-.1516;.7446,2.7651,-.2222;-1.3567,2.5861,-.1434;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.534152800860</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758676823235</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001274345048 0.000488255235 0.025699698202 0.006945798082</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.000776496 0.002082729 0.003258245 0.004804322 0.007526813 0.010976415 0.011605906 0.012722661 0.021104475 0.038018144 0.039489642 0.043110618 0.043561609 0.056859176 0.061102778 0.066893961 0.081152086 0.086935932 0.098232415 0.102725672 0.111199437 0.122963454 0.135648505 0.140569459 0.198155977 0.200454229 0.223814249 0.235786769 0.261987826 0.276177889 0.312100675 0.353390454 0.407563377 0.474651135 0.532454824 0.648739074 0.757229464 0.826368490 0.868111904 0.891851421 0.920537069 1.086059216 1.115130265 1.132641269 1.159078552 1.170030102 1.242333918 1.502098577</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">47</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11822194"
                              y3="0.57884193"
                              z3="-0.03287237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60299858"
                              y3="-1.6228318"
                              z3="0.15135253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74980942"
                              y3="-1.50553144"
                              z3="0.10352878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04267241"
                              y3="-0.16443059"
                              z3="-0.00571336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12878851"
                              y3="-0.35274627"
                              z3="0.06934282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53524439"
                              y3="-0.02472403"
                              z3="0.08586842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.3692559"
                              y3="0.39804415"
                              z3="-0.10514629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.82003356"
                              y3="0.49975646"
                              z3="-0.83800303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11713292"
                              y3="-0.95023073"
                              z3="0.16688839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.77060602"
                              y3="0.62444703"
                              z3="0.94186897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.10851725"
                              y3="-0.40333781"
                              z3="0.00956016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.52740505"
                              y3="1.14759211"
                              z3="0.68298626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.51319822"
                              y3="0.88235858"
                              z3="-1.08208739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.5236076"
                              y3="-2.26717352"
                              z3="0.13966148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23011197"
                              y3="-2.5056608"
                              z3="0.23740093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.25247296"
                              y3="2.0805668"
                              z3="-0.14907671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.74471524"
                              y3="2.76658263"
                              z3="-0.22681877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.35593724"
                              y3="2.58612029"
                              z3="-0.14873383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1182,.5788,-.0329;-.603,-1.6228,.1514;.7498,-1.5055,.1035;1.0427,-.1644,-.0057;-1.1288,-.3527,.0693;-2.5352,-.0247,.0859;2.3693,.398,-.1051;-2.82,.4998,-.838;-3.1171,-.9502,.1669;-2.7706,.6244,.9419;3.1085,-.4033,.0096;2.5274,1.1476,.683;2.5132,.8824,-1.0821;1.5236,-2.2672,.1397;-1.2301,-2.5057,.2374;-.2525,2.0806,-.1491;.7447,2.7666,-.2268;-1.3559,2.5861,-.1487;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.534180872012</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758671667199</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000821560928 0.000308017714 0.036525678676 0.010017638050</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.000759477 0.002094586 0.003286842 0.004782500 0.007399739 0.010944195 0.012109101 0.012414287 0.021228847 0.037710546 0.039443062 0.042594750 0.043724851 0.056216726 0.057784554 0.067941005 0.070931815 0.087628993 0.095968221 0.102469189 0.111152539 0.117283112 0.134259554 0.140652323 0.194319187 0.202275611 0.222770912 0.236637717 0.262265116 0.277458514 0.313832176 0.353446557 0.408068658 0.474135740 0.521279002 0.646414717 0.752576158 0.827373376 0.870205775 0.891964973 0.921872470 1.094125372 1.109121849 1.143512391 1.158899260 1.170712529 1.237008820 1.502134128</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">48</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.118134"
                              y3="0.57884505"
                              z3="-0.03527267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.6028075"
                              y3="-1.6225979"
                              z3="0.15440586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74993043"
                              y3="-1.50532636"
                              z3="0.10411676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.0427222"
                              y3="-0.16447156"
                              z3="-0.00951803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.128734"
                              y3="-0.35266615"
                              z3="0.07026569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53510225"
                              y3="-0.02453466"
                              z3="0.08622486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.36920086"
                              y3="0.39927642"
                              z3="-0.10113673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.82119903"
                              y3="0.49201055"
                              z3="-0.84113887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11700789"
                              y3="-0.94873219"
                              z3="0.1764421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.76872093"
                              y3="0.63186932"
                              z3="0.93666992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.10472636"
                              y3="-0.41135222"
                              z3="-0.02370097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.54030275"
                              y3="1.12017119"
                              z3="0.713056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.50522638"
                              y3="0.91888426"
                              z3="-1.06304355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52367039"
                              y3="-2.26689066"
                              z3="0.14086685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.22966745"
                              y3="-2.50544736"
                              z3="0.24369893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.25317327"
                              y3="2.07948948"
                              z3="-0.15258215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.74374341"
                              y3="2.76583453"
                              z3="-0.23765469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.35734346"
                              y3="2.58328126"
                              z3="-0.16169229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1181,.5788,-.0353;-.6028,-1.6226,.1544;.7499,-1.5053,.1041;1.0427,-.1645,-.0095;-1.1287,-.3527,.0703;-2.5351,-.0245,.0862;2.3692,.3993,-.1011;-2.8212,.492,-.8411;-3.117,-.9487,.1764;-2.7687,.6319,.9367;3.1047,-.4114,-.0237;2.5403,1.1202,.7131;2.5052,.9189,-1.063;1.5237,-2.2669,.1409;-1.2297,-2.5054,.2437;-.2532,2.0795,-.1526;.7437,2.7658,-.2377;-1.3573,2.5833,-.1617;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.534192826574</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758672812161</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001944445293 0.000577688300 0.005423506545 0.001969090091</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.001340431 0.002332769 0.003199659 0.004759037 0.007226436 0.010962347 0.012044037 0.012737849 0.021185207 0.037659764 0.039446588 0.042107936 0.043767268 0.053555631 0.057625030 0.068159071 0.069720612 0.088109285 0.095701271 0.103660475 0.111141430 0.116578608 0.134044893 0.140698782 0.191782191 0.208712231 0.222399496 0.242047011 0.262208328 0.280219294 0.314585546 0.352509801 0.414857604 0.472966113 0.531678645 0.649663804 0.788992090 0.826302036 0.878221602 0.891980491 0.925728657 1.094704869 1.105210772 1.142595092 1.158235823 1.185291817 1.243274472 1.502860511</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">49</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11767027"
                              y3="0.579006"
                              z3="-0.03256682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.6030586"
                              y3="-1.62234542"
                              z3="0.15218996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74972773"
                              y3="-1.50551152"
                              z3="0.10235748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04291872"
                              y3="-0.16489457"
                              z3="-0.0085723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.1288239"
                              y3="-0.35248414"
                              z3="0.07060264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53527043"
                              y3="-0.02472911"
                              z3="0.08704683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.36940575"
                              y3="0.39883038"
                              z3="-0.10014448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.82347316"
                              y3="0.48790942"
                              z3="-0.84227033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11651584"
                              y3="-0.94924395"
                              z3="0.1818656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.76786816"
                              y3="0.63503169"
                              z3="0.93543238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.10493749"
                              y3="-0.40893121"
                              z3="-0.01871195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.53804355"
                              y3="1.12177815"
                              z3="0.70998785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.50761019"
                              y3="0.9144384"
                              z3="-1.06165169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52331402"
                              y3="-2.26709494"
                              z3="0.13749761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.23000212"
                              y3="-2.50497329"
                              z3="0.23954084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.25272454"
                              y3="2.0799358"
                              z3="-0.15022454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.7436958"
                              y3="2.76775469"
                              z3="-0.2408589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.3566132"
                              y3="2.5831666"
                              z3="-0.16151318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1177,.579,-.0326;-.6031,-1.6223,.1522;.7497,-1.5055,.1024;1.0429,-.1649,-.0086;-1.1288,-.3525,.0706;-2.5353,-.0247,.087;2.3694,.3988,-.1001;-2.8235,.4879,-.8423;-3.1165,-.9492,.1819;-2.7679,.635,.9354;3.1049,-.4089,-.0187;2.538,1.1218,.71;2.5076,.9144,-1.0617;1.5233,-2.2671,.1375;-1.23,-2.505,.2395;-.2527,2.0799,-.1502;.7437,2.7678,-.2409;-1.3566,2.5832,-.1615;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.534195557905</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758685705388</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000956787940 0.000284563713 0.008647735490 0.002073238447</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.001163736 0.002546904 0.003511589 0.004948083 0.007791897 0.011017059 0.012656499 0.012807346 0.021315000 0.038468395 0.039633183 0.043205286 0.043774868 0.057375432 0.060210830 0.068903489 0.079985436 0.091131051 0.097775957 0.107010849 0.111108210 0.118578383 0.136098875 0.140968310 0.190672774 0.209307863 0.222531529 0.242536555 0.262182501 0.280958376 0.313286929 0.360800681 0.421795292 0.472646441 0.564352857 0.652160258 0.782126045 0.825894038 0.891171736 0.894304642 0.927744700 1.092700472 1.113493933 1.137712422 1.161013966 1.184531049 1.247934306 1.502924007</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">50</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11784242"
                              y3="0.57892567"
                              z3="-0.03344326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60305242"
                              y3="-1.62233491"
                              z3="0.15378495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74974122"
                              y3="-1.5053808"
                              z3="0.10426954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04280071"
                              y3="-0.16482206"
                              z3="-0.00845977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12892963"
                              y3="-0.35258151"
                              z3="0.07028171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53539689"
                              y3="-0.02485383"
                              z3="0.0861717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.36934411"
                              y3="0.39868005"
                              z3="-0.10058312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.82321343"
                              y3="0.48781928"
                              z3="-0.84302813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11656258"
                              y3="-0.94923873"
                              z3="0.18053061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.76849885"
                              y3="0.63466096"
                              z3="0.93443714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.10637962"
                              y3="-0.40972539"
                              z3="-0.02735969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.54036648"
                              y3="1.11650395"
                              z3="0.71471161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.50318589"
                              y3="0.92096175"
                              z3="-1.05989455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52343757"
                              y3="-2.26685683"
                              z3="0.14063398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.22994007"
                              y3="-2.50493682"
                              z3="0.24189428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.25244348"
                              y3="2.07990924"
                              z3="-0.15176961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.74441913"
                              y3="2.76709288"
                              z3="-0.23971232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.35616197"
                              y3="2.58382009"
                              z3="-0.16245807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1178,.5789,-.0334;-.6031,-1.6223,.1538;.7497,-1.5054,.1043;1.0428,-.1648,-.0085;-1.1289,-.3526,.0703;-2.5354,-.0249,.0862;2.3693,.3987,-.1006;-2.8232,.4878,-.843;-3.1166,-.9492,.1805;-2.7685,.6347,.9344;3.1064,-.4097,-.0274;2.5404,1.1165,.7147;2.5032,.921,-1.0599;1.5234,-2.2669,.1406;-1.2299,-2.5049,.2419;-.2524,2.0799,-.1518;.7444,2.7671,-.2397;-1.3562,2.5838,-.1625;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.534198969364</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758684814477</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000785258977 0.000202117966 0.011091566102 0.002990636529</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.000738374 0.000863252 0.001991361 0.004542847 0.007694750 0.009267488 0.009805144 0.011277667 0.020619470 0.036894098 0.039508664 0.044047146 0.047230503 0.052658151 0.056797890 0.066210207 0.067084309 0.084781901 0.091446808 0.096065096 0.102153707 0.109459310 0.116724863 0.118940784 0.135871190 0.146316858 0.193818019 0.214984035 0.228838106 0.251075197 0.261601547 0.332976640 0.333935802 0.477283749 0.578850621 0.594794561 0.644237053 0.813327238 0.819581826 0.863897388 0.865475700 0.882654696 0.914166927 1.021095303 1.091718968 1.128072981 1.141378555 1.474931190</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">51</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.1180338"
                              y3="0.57827756"
                              z3="-0.0371374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.6030688"
                              y3="-1.62258618"
                              z3="0.15543527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74974819"
                              y3="-1.50564683"
                              z3="0.10522806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04265858"
                              y3="-0.16532065"
                              z3="-0.01126243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12897836"
                              y3="-0.35301149"
                              z3="0.06887453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53528204"
                              y3="-0.02471528"
                              z3="0.08614798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.36915565"
                              y3="0.39898256"
                              z3="-0.10002225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.82347277"
                              y3="0.48868461"
                              z3="-0.84256417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11683144"
                              y3="-0.94893449"
                              z3="0.18043785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.76739714"
                              y3="0.6345406"
                              z3="0.93506078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.10663167"
                              y3="-0.4095008"
                              z3="-0.03709017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.5419932"
                              y3="1.10825081"
                              z3="0.72222923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.49975623"
                              y3="0.93205331"
                              z3="-1.05309181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.5234347"
                              y3="-2.26710515"
                              z3="0.1432701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.22998459"
                              y3="-2.50503763"
                              z3="0.24570748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.25216548"
                              y3="2.07924188"
                              z3="-0.15595555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.74515259"
                              y3="2.76544779"
                              z3="-0.24077135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.35568339"
                              y3="2.58402239"
                              z3="-0.16448915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.118,.5783,-.0371;-.6031,-1.6226,.1554;.7497,-1.5056,.1052;1.0427,-.1653,-.0113;-1.129,-.353,.0689;-2.5353,-.0247,.0861;2.3692,.399,-.1;-2.8235,.4887,-.8426;-3.1168,-.9489,.1804;-2.7674,.6345,.9351;3.1066,-.4095,-.0371;2.542,1.1083,.7222;2.4998,.9321,-1.0531;1.5234,-2.2671,.1433;-1.23,-2.505,.2457;-.2522,2.0792,-.156;.7452,2.7654,-.2408;-1.3557,2.584,-.1645;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.534201986983</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758682757766</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000061401648 0.000022002326 0.008618528520 0.002295979118</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.000701236 0.000849299 0.001992526 0.004542935 0.007726795 0.009328329 0.009874617 0.011284914 0.020619217 0.036894804 0.039510665 0.044051679 0.047242186 0.052945091 0.056795568 0.066441078 0.067053570 0.084796986 0.091446554 0.096120712 0.102156743 0.109543063 0.116728201 0.118988567 0.135871078 0.146317031 0.192933205 0.213584625 0.228845424 0.251073155 0.261562202 0.330950562 0.333326860 0.475314675 0.576510965 0.594892299 0.641283119 0.813110831 0.819093832 0.863672162 0.865520493 0.882780460 0.914349285 1.021098955 1.091585809 1.128103655 1.141230286 1.474934167</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter"
                       dataType="xsd:integer"
                       dictRef="cc:cycleNumber">52</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.11807483"
                              y3="0.57816948"
                              z3="-0.03816444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.60304019"
                              y3="-1.62251581"
                              z3="0.15656421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.74977136"
                              y3="-1.50559168"
                              z3="0.10613471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.04263146"
                              y3="-0.16539276"
                              z3="-0.01195968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.12898987"
                              y3="-0.35304633"
                              z3="0.06871932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.53528694"
                              y3="-0.02472678"
                              z3="0.08598159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.36914117"
                              y3="0.39906877"
                              z3="-0.09949811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.82355622"
                              y3="0.48824098"
                              z3="-0.84294037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.11684417"
                              y3="-0.94889226"
                              z3="0.18076159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.76730366"
                              y3="0.63493798"
                              z3="0.934611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.10643821"
                              y3="-0.41030993"
                              z3="-0.0457087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.54489367"
                              y3="1.10134174"
                              z3="0.72827096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.49705236"
                              y3="0.9401173"
                              z3="-1.04841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.52346599"
                              y3="-2.26700636"
                              z3="0.14490306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.22992575"
                              y3="-2.50490161"
                              z3="0.24769698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.25219327"
                              y3="2.07907746"
                              z3="-0.15770976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="0.7451606"
                              y3="2.76521544"
                              z3="-0.24246731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.35570695"
                              y3="2.58385737"
                              z3="-0.16677805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1181,.5782,-.0382;-.603,-1.6225,.1566;.7498,-1.5056,.1061;1.0426,-.1654,-.012;-1.129,-.353,.0687;-2.5353,-.0247,.086;2.3691,.3991,-.0995;-2.8236,.4882,-.8429;-3.1168,-.9489,.1808;-2.7673,.6349,.9346;3.1064,-.4103,-.0457;2.5449,1.1013,.7283;2.4971,.9401,-1.0484;1.5235,-2.267,.1449;-1.2299,-2.5049,.2477;-.2522,2.0791,-.1577;.7452,2.7652,-.2425;-1.3557,2.5839,-.1668;</scalar>
                     </formula>
                  </molecule>
               </module>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.534202415610</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758682356688</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000114263734 0.000038394735 0.001739870319 0.000449674842</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000060000000 0.000040000000 0.000300000000 0.000200000000</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.000618606 0.000837686 0.001998007 0.004543429 0.007768151 0.009370887 0.010020800 0.011297682 0.020621554 0.036897339 0.039512047 0.044059435 0.047239910 0.053149100 0.056795537 0.066587902 0.067026704 0.084804163 0.091446602 0.096134892 0.102176528 0.109622818 0.116728717 0.119065065 0.135868988 0.146338420 0.191646784 0.212037292 0.228862474 0.251071694 0.261515305 0.326953518 0.333702629 0.473051237 0.573455695 0.595366170 0.637520965 0.812741086 0.818562422 0.864348192 0.865698011 0.882790840 0.914417726 1.020925509 1.091404515 1.128158264 1.141092276 1.474933800</array>
            </module>
            <module dictRef="cc:irc" id="irc">
               <module id="irc-center">
                  <scalar dictRef="cc:ircStep" id="step">0</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:frequencies">
                  <module dictRef="cc:vibrations">
                     <array dataType="xsd:integer" dictRef="x:serial" size="48">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</array>
                     <array dataType="xsd:double" dictRef="cc:frequency" size="48">117.22249122 130.29533899 146.06437016 237.27460517 238.25930566 303.81791193 311.60100071 412.32716643 472.40080551 587.33823544 610.65789343 638.17142443 714.83995551 732.43031661 741.89119731 744.32359490 843.45164412 862.72178936 1044.82915736 1062.02107706 1099.97995008 1128.99254660 1144.58928438 1146.17137329 1166.21488200 1267.00315527 1287.03169940 1388.92056044 1403.08249514 1444.07772635 1446.64915132 1451.25910006 1454.30259690 1463.40050210 1488.81180451 1513.89140204 1526.45344586 1641.09257378 2533.17646654 2602.56664864 3060.78552020 3061.75025512 3153.33115923 3153.86443576 3196.59511063 3196.78377050 3294.11356881 3313.91415799</array>
                     <array dataType="xsd:double" dictRef="cc:redmass" size="48">1.11499922 1.93593882 1.23930967 3.32846508 2.51366665 2.42611150 2.59290173 1.11481506 2.34481432 4.53792897 3.42219849 2.07452391 1.34808161 2.05601088 2.47564325 3.70675666 2.09657458 1.36006000 2.00513474 1.76584019 1.12566065 2.31542841 1.31868234 1.32444334 1.20390165 1.50266211 3.07856759 4.00077205 8.94143776 1.43491675 1.35964856 1.05007998 1.03669728 1.36850293 1.13856081 1.95547268 3.67355641 5.25688039 1.05827396 1.12748844 1.03507015 1.03523568 1.10710303 1.10714374 1.10586986 1.10597480 1.09223891 1.11233283</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="2592">0.0002027850 -0.0009296024 0.0375400393 0.0002225806 -0.0006268843 -0.0258209819 0.0000636142 -0.0006974355 -0.0063789411 0.0004302120 -0.0007987067 0.0480581767 0.0002439433 -0.0005413695 0.0054024622 -0.0001221663 0.0005893570 -0.0221463104 0.0016722990 0.0027839628 -0.0551936885 -0.0243943469 0.0156868943 -0.0176835182 0.0009112758 0.0013563496 -0.0539862863 0.0227269762 -0.0138991833 -0.0176964888 -0.0013628773 0.0101074145 0.4959510161 0.1175089992 0.4791944348 -0.3621057940 -0.1049434234 -0.4722652983 -0.3535673795 -0.0004438086 -0.0002403246 -0.0169308618 0.0004006072 -0.0004695426 -0.0486991862 -0.0030546545 -0.0010618949 0.0379145767 -0.0054906913 -0.0052025163 0.0274782172 -0.0051905097 0.0026227398 0.0475574629 -0.0001599554 0.0004280476 0.0736446654 -0.0001154180 0.0003357666 0.0559200958 -0.0000479044 0.0002540281 0.0358032320 -0.0003080145 0.0002796385 0.0312185157 -0.0001750112 0.0002872038 0.0738685323 0.0002358235 -0.0001977563 -0.1778889486 -0.0008395899 -0.0013111446 -0.1458764905 -0.0437015401 -0.3468034903 -0.4276387131 -0.0006930287 -0.0005356821 0.1323231664 0.0452129448 0.3457335091 -0.4276324456 -0.0007219658 -0.0034664240 -0.3714801968 -0.1663523369 -0.1074537944 -0.1103008179 0.1618765012 0.1031577017 -0.1133052491 0.0003481097 -0.0001139176 0.0263233350 -0.0000501867 0.0003859481 0.0599698929 0.0015268726 0.0005207342 0.1243462191 0.0027204673 0.0024906644 0.1583512110 0.0024312298 -0.0011118782 0.1409483408 0.0000428959 0.0002410446 0.0036781172 0.0001430220 0.0003002041 -0.0520889943 0.0001289000 0.0001973375 -0.0736898566 0.0001533614 0.0001216656 -0.0177780624 0.0000327523 0.0002925196 0.0251976246 0.0003596410 -0.0009458351 0.0532151902 0.0000785116 -0.0001272327 0.0833731520 0.1836126553 -0.4260915824 -0.1974501637 -0.0021107180 -0.0021426260 0.6108930971 -0.1803930557 0.4229331318 -0.1978419081 0.0011626762 0.0001424861 0.2045876632 0.0928440623 0.0521223672 0.0681177252 -0.0928420534 -0.0521461314 0.0695721174 -0.0003293001 0.0005987572 -0.1064521894 0.0008287637 0.0008515352 -0.0679636769 -0.0009777462 0.0001590891 -0.0467963137 -0.0018486817 -0.0011905792 -0.0738594655 -0.0017950382 0.0014125596 -0.0739998752 -0.0002924341 0.0010990198 0.2107985547 -0.0004337292 0.0007720609 -0.1563701796 -0.0002474208 0.0009120414 -0.1072427631 -0.0003819660 0.0007852688 0.2271208077 -0.0005187325 0.0006176713 0.1504190165 -0.0001348926 -0.0003538643 0.0003564572 -0.0018067634 -0.0037425997 -0.0361178061 -0.1340321851 0.0994808214 0.0361904214 -0.0004402148 -0.0008005386 -0.1974357020 0.1346168669 -0.1003746967 0.0364804000 0.0004521094 -0.0077606506 -0.2830453755 -0.2206817329 -0.0957602583 -0.0246096203 0.2113954352 0.0849889937 -0.0277152520 -0.0005608400 0.0011478695 -0.2516376877 -0.0005064085 0.0008192234 -0.3384097685 0.0039159463 0.0011007165 -0.2139633745 0.0071457299 0.0072316760 -0.3369092986 0.0070600069 -0.0048516782 -0.4666238530 -0.0004346010 0.0004732062 -0.0296745125 0.0000668506 0.0005521767 -0.1074663922 0.0002583170 0.0000961934 0.1392393785 -0.0002232121 0.0001536921 0.1650943542 -0.0004292629 0.0006364123 -0.2176517867 -0.0003531841 -0.0004410249 0.0944903498 -0.0007593876 -0.0013653332 -0.0851589206 0.2617129617 -0.0788189383 0.1029666536 -0.0021841313 -0.0014926346 0.3666714261 -0.2606281616 0.0771935431 0.1024736525 -0.0013907046 -0.0024333446 -0.2554994023 -0.2004606642 -0.0247328195 -0.1158642828 0.1975086397 0.0202221511 -0.1176951316 0.0010939825 -0.0006022118 0.2561352625 0.0006513651 0.0010719446 -0.1777583608 0.0018850673 0.0005515107 0.0288790553 0.0040163415 0.0026622334 0.4430032928 0.0027041450 -0.0019189390 -0.3257454072 -0.0286950097 0.0362650241 -0.0020647899 -0.0147879452 0.0311532479 0.0013801028 -0.0094729029 0.0263291731 -0.0006461646 -0.0370368042 0.0198734005 -0.0029092571 -0.0337477074 0.0288921495 -0.0008233729 -0.0400362581 0.0387064084 0.0003701971 -0.1094378849 -0.1815211702 0.0010246111 -0.0422596678 0.0413126765 0.0022187578 -0.0378953508 0.0405196499 -0.0001580461 -0.0427987664 0.0401619034 -0.0005726512 0.0426542786 -0.2978268953 0.0258888458 -0.2180690450 -0.2111568851 -0.0033166843 -0.2324104230 -0.2450260467 -0.0136377319 -0.0026400390 0.0209477335 -0.0004980517 -0.0087654836 0.0367857291 0.0042930588 0.2796374962 0.0376564184 0.0030322292 0.4375165189 0.3213149189 -0.0019315185 0.4437607331 -0.2517144512 0.0056914265 -0.0134393980 -0.0947986527 0.0005644914 0.0030569559 -0.0730431633 -0.0006874652 -0.0108879902 -0.0779863218 -0.0006676817 -0.0106416474 -0.0670983556 0.0002700105 -0.0200650262 -0.0604489334 0.0006906737 -0.1224960354 0.2311826023 0.0003569333 0.0607056230 0.1427135262 0.0005917386 -0.2866596918 0.2897352141 0.0023128980 0.1002338451 0.4005885287 0.0053752748 -0.2897977322 0.2987280635 -0.0074258614 -0.1051248841 0.2693422725 -0.0076029703 0.1832445172 0.1826836975 0.0014607425 0.1842245728 0.1956259102 0.0072065752 -0.0081466174 -0.0815888611 0.0000250585 0.0121017847 -0.0657533571 -0.0016243583 0.1153899741 -0.0973030049 -0.0009656425 0.1903264888 0.0297358463 0.0019173074 0.1747382311 -0.2088731244 -0.0063257141 0.0004881289 0.0000720475 0.0001205712 -0.0002538417 -0.0001445410 0.0481458621 -0.0002785209 0.0004897145 -0.0492320087 0.0001568016 0.0004771730 -0.0444820311 0.0002526960 -0.0002300502 0.0466365157 0.0003237926 -0.0001000319 -0.0059478163 -0.0002623060 -0.0004664838 0.0061369460 -0.0480182191 0.0171424075 -0.0045371107 0.0007070275 0.0001107214 -0.0666504264 0.0482475402 -0.0171259592 -0.0044045492 0.0011301632 -0.0010138902 0.0621843286 0.0448242456 0.0138606178 0.0056884508 -0.0467058337 -0.0152807324 0.0060026546 -0.0008711728 0.0009869214 -0.0980690315 -0.0006899312 -0.0005355033 0.0960617367 -0.0002589885 0.0001271884 -0.0026407935 0.0000285724 -0.0020667354 0.6965343422 -0.0017183784 0.0008767851 -0.6846529833 -0.1503924807 0.0011932174 0.0004942674 0.0954588469 0.1031726404 0.0000092221 0.0954131676 -0.1014756713 -0.0003895391 -0.0604046334 -0.1204845561 -0.0011230313 -0.0594609658 0.1217263951 0.0010770441 0.0045448966 -0.0932617926 -0.0002930878 0.0013509948 0.0891111404 0.0001215126 0.1575634897 -0.1539846865 -0.0047359690 -0.2008650132 -0.2491968216 -0.0018842354 0.1605544937 -0.1561538758 0.0053024939 -0.1998172863 0.2429960258 -0.0004568907 0.1552344607 0.1487728484 -0.0043241252 0.1505486450 0.1512216971 0.0058092017 0.2247277108 -0.2119819872 0.0045235236 0.2226651898 0.2107931310 0.0001494189 0.0040505966 0.0013304625 0.0000119817 0.1985704664 0.3351566698 0.0024500984 0.1998402077 -0.3344031396 -0.0056393123 -0.0003184775 0.1114152546 -0.0005640174 -0.0155734318 -0.0556996796 0.0021508827 0.0168768784 -0.0559183784 -0.0011795887 0.1640589049 -0.0220325951 0.0009108824 -0.1643462720 -0.0217033823 -0.0007984055 -0.2871470977 -0.0920014993 -0.0004246558 0.2869054471 -0.0908557543 0.0001091091 -0.2807678165 -0.0893507293 0.0023378479 -0.2844093098 -0.0858387860 -0.0005609415 -0.2806419684 -0.0901477432 -0.0026639363 0.2819934759 -0.0835627665 -0.0005498845 0.2805375691 -0.0885482971 -0.0023867850 0.2824458265 -0.0876902954 0.0027148214 -0.0954768411 0.0428307860 -0.0076046994 0.0977137581 0.0432941019 0.0029533942 -0.0005039209 0.2471963015 0.0001853975 0.0049853522 0.2632946978 0.0006799069 -0.0057330883 0.2627373442 0.0004000214 -0.0008594185 -0.0007730696 0.0008296349 0.0001820327 0.0007065030 0.2587214711 -0.0001701204 -0.0001115661 -0.2578583379 -0.0007884565 -0.0004466507 0.1894348040 0.0006250976 0.0007785170 -0.1907588924 0.0016167358 0.0004410314 -0.0196519217 -0.0005831819 0.0009542983 0.0193057225 0.1138341091 0.0139269557 0.0172766682 0.0007762048 -0.0002008182 0.0421323211 -0.1092121656 -0.0136939239 0.0171268633 -0.0015713034 0.0011064612 -0.0414523639 -0.1104196301 0.0139732490 -0.0166266197 0.1115663879 -0.0120371660 -0.0170990943 -0.0008187086 0.0003661030 -0.5986643813 -0.0001672447 0.0002458238 0.5966695795 -0.0005423399 -0.0017686804 0.0011991704 0.0008601351 0.0009756933 -0.1148950601 0.0011311698 -0.0044456445 0.1047965411 0.0004009068 0.0001196277 0.2278022100 -0.0003315048 -0.0004053162 0.0223344765 -0.0003058270 0.0002541822 0.0235689525 0.0003740465 0.0002961381 -0.1180575208 0.0002783465 -0.0003264375 -0.1164530286 0.0001088804 0.0000115469 -0.0146935026 0.0005804847 -0.0000565003 -0.0152362128 0.0876611600 0.0240970994 0.0228986750 0.0005796554 0.0004344537 0.0319941897 -0.0882870887 -0.0234777031 0.0225541933 0.0017947154 -0.0005492737 0.0335627260 0.0885839235 -0.0236010760 0.0221435283 -0.0894758684 0.0231543789 0.0221853922 -0.0008291225 0.0007207621 0.1415725656 -0.0006860846 -0.0007651210 0.1386407865 -0.0010890614 0.0000686161 0.1106153592 -0.0011297053 0.0027916140 -0.6333281517 -0.0007725230 -0.0022233001 -0.6547932971 -0.0010984782 -0.0004951792 -0.1117578450 -0.0013644463 0.0009299824 0.0685322857 -0.0014517896 0.0005873289 0.0692326361 0.0005472420 -0.0000033096 0.0174626674 0.0002442061 0.0009945460 0.0179458766 0.0015230702 0.0006349943 0.0024562444 0.0024120472 -0.0004715664 0.0021507384 -0.0186715923 -0.0088994468 -0.0074653148 0.0003605969 -0.0002354460 -0.0025386135 0.0231743646 0.0095704637 -0.0073235373 0.0037115445 -0.0014741141 -0.0029557756 -0.0188554507 0.0076095264 -0.0070383634 0.0229846201 -0.0090798113 -0.0071035947 -0.0050089921 0.0034427838 -0.6238845182 -0.0020967123 0.0007516466 -0.6247367409 -0.0019200758 -0.0022121054 0.0949217472 0.0017103178 0.0053221855 -0.3009476317 0.0024262800 -0.0107319791 -0.3094096468 -0.0001035694 0.0004189479 -0.1978591818 -0.0009551472 -0.0010421628 -0.0856285179 -0.0009547953 -0.0007382109 -0.0859115695 0.0001735557 -0.0003710668 0.0892684030 0.0007079780 -0.0007866027 0.0895759449 0.0016381044 0.0004155405 0.0105361525 0.0005953490 0.0000504000 0.0103160394 -0.0646859007 -0.0129429065 -0.0139319952 0.0032744467 0.0015552459 -0.0353246544 0.0656597299 0.0149161355 -0.0140426314 -0.0006043340 0.0005631632 -0.0324536234 -0.0645569806 0.0146998810 -0.0147879453 0.0650409923 -0.0158614500 -0.0152919771 0.0002245346 -0.0016494453 0.4893092644 -0.0019542075 -0.0022522786 0.4895704413 -0.0015709662 0.0020040795 0.1567547807 0.0001340610 0.0072788429 -0.4455184277 -0.0002385232 -0.0014519494 -0.4547260919 0.0580638619 0.0023983171 -0.0031702338 0.1540123898 -0.0299011490 0.0020564858 0.1529715758 0.0169228900 -0.0000964429 -0.0334353031 0.0382883674 0.0014139159 -0.0288732356 -0.0450093112 0.0005561759 -0.1570148253 -0.0709198449 -0.0001793909 -0.1689596203 0.0730510517 0.0000708853 -0.1678622803 -0.0640530569 0.0011968582 -0.1361068259 -0.0518500219 -0.0007879742 -0.1665195203 -0.0647544478 -0.0013817838 -0.1576307014 0.0615917926 -0.0010408087 -0.1722246723 0.0704759942 0.0004388220 -0.1707389520 0.0699804906 -0.0007956168 0.2454998512 -0.0591517236 -0.0097302481 0.2452740732 0.0437410672 -0.0121077991 0.1131722893 0.0137062972 0.0035098866 -0.1753277672 -0.4774544612 -0.0132163300 -0.1801410177 0.5157299478 -0.0125881636 -0.0029016551 0.0610357447 0.0005580071 0.0001743046 -0.1672723734 0.0023721511 -0.0195776849 -0.1706446689 0.0009117290 -0.0531199661 -0.0942954272 -0.0003638001 0.0569546054 -0.0894421501 -0.0010336147 0.1498614718 0.0395830020 0.0002326309 -0.1301192222 0.0309566447 0.0001464472 0.0518677620 0.0827428905 0.0060331900 0.2911954749 0.1432212700 0.0011984174 0.0498495141 0.0839842485 -0.0061868214 -0.2725977651 0.1366723193 0.0012097135 -0.0316808347 0.0737009463 -0.0059656504 -0.0337494404 0.0733107262 0.0053791080 -0.0002535781 -0.1981616443 -0.0117634280 -0.0278382523 -0.2009140181 -0.0156146840 -0.0062640189 0.3558492613 -0.0005541543 0.0527294241 0.4910626516 0.0007896647 -0.0338604230 0.4369341030 0.0001318348 0.0009302718 0.0002634701 -0.0002542048 -0.1028982952 0.1099567895 0.0012322307 -0.1024316979 -0.1079864080 -0.0010131950 -0.0252726706 -0.0869062874 0.0003720449 -0.0253693596 0.0873322284 0.0000735829 0.0567927074 0.0336618428 -0.0001799710 0.0570610829 -0.0358709248 -0.0001059203 0.1215212154 0.0005081973 -0.0074728925 -0.0486658823 -0.0464607107 -0.0001080158 0.1206558535 -0.0007843431 0.0083744694 -0.0498889605 0.0459237428 -0.0023364686 0.1250488511 -0.0010935726 -0.0081468449 0.1225672685 0.0018403739 0.0097032145 -0.0432841021 -0.1655257756 0.0049360211 -0.0482709180 0.1634004234 -0.0066554961 0.1685488922 -0.0004701782 0.0007870408 -0.1788924049 -0.5948761781 -0.0045813992 -0.1802367167 0.5959908878 -0.0046789830 0.0004140950 0.0000565157 -0.0000096281 -0.0002166577 -0.0002728849 0.1261890874 0.0000592875 0.0012250962 -0.1262548771 0.0004326796 0.0008001013 0.0084596549 0.0002561663 -0.0005483093 -0.0085189397 -0.0004337578 -0.0001304507 -0.0013578542 0.0003930727 -0.0005039762 0.0016183434 0.0155868896 0.0074943521 0.0083869432 0.0000545007 0.0003167741 0.0130206460 -0.0174631662 -0.0072605342 0.0082658462 -0.0001424790 -0.0001860105 -0.0125589607 -0.0165389010 0.0076478104 -0.0087744037 0.0160745982 -0.0092523325 -0.0087437059 0.0032009842 -0.0011397624 0.6946174193 -0.0018394984 -0.0011684795 -0.6953200829 -0.0012325767 -0.0003343766 -0.0000143735 0.0011963908 0.0037564276 0.0024760320 0.0011917200 -0.0045107869 -0.0025926086 -0.1265952937 0.0004622793 -0.0000391030 0.0607690561 -0.1526625733 -0.0000301207 0.0584903157 0.1530311076 -0.0001646822 -0.0453286764 -0.0247019409 0.0002902231 -0.0450809301 0.0233098884 0.0002335362 0.0284224241 0.0730230991 -0.0003627165 0.0258621898 -0.0754123482 -0.0002477557 0.2780233355 -0.0563798439 -0.0328286521 -0.2401921744 -0.1346252490 0.0001953204 0.2760348396 -0.0577508856 0.0341692643 -0.2497150264 0.1373103689 -0.0021504169 0.2901587737 0.0601334788 -0.0353314887 0.2832477689 0.0656727022 0.0369159150 -0.2068038831 0.3909445779 0.0023991134 -0.1810575320 -0.3702970935 0.0000345475 0.0488587755 0.0003451430 0.0001246851 -0.0435768891 -0.1529692750 -0.0008896431 -0.0426712723 0.1520886275 -0.0010994287 0.0004953771 -0.0102494135 -0.0001023226 -0.0244765215 0.1312918281 -0.0000969417 0.0247948879 0.1316776983 0.0004634418 -0.0543246954 -0.0586044450 0.0002134484 0.0548479245 -0.0596898556 -0.0002319823 -0.0078255851 -0.0935144584 0.0004023514 0.0062237482 -0.0935960640 0.0000414616 -0.3168746275 0.0783174309 0.0461440143 0.3364618907 0.1698496160 -0.0004280331 -0.3160715569 0.0812457652 -0.0483170453 -0.3323054013 0.1667184115 -0.0023047323 0.3192197273 0.0785795722 -0.0474326787 0.3115336882 0.0833500202 0.0483545470 0.2951367789 -0.0820478526 -0.0036521707 -0.2934359352 -0.0802318891 0.0007086433 -0.0004257580 0.0124058778 -0.0000073577 0.0554084325 0.1189455260 -0.0004029192 -0.0523083269 0.1121740407 -0.0007616559 -0.0032427432 -0.0195639236 0.0000673649 -0.0462696784 -0.0022971065 -0.0001110804 0.0485989609 0.0034896639 0.0003068838 -0.0162835304 0.0102779682 -0.0002446679 0.0138194166 0.0098631166 -0.0000200741 -0.0307430076 0.0385764993 0.0001093091 0.0334432983 0.0371997883 0.0002986293 0.1135301199 -0.0478085965 -0.0262041759 -0.2119536489 -0.0987375422 -0.0006212174 0.1137346988 -0.0470363027 0.0261993114 0.2095195323 -0.0953864406 0.0008850007 -0.1107891395 -0.0470521661 0.0260956280 -0.1063580965 -0.0512098901 -0.0273637829 0.5074325755 -0.3814128541 -0.0035509030 -0.5098887957 -0.3908809437 0.0005298939 0.0009034390 0.0099879785 -0.0000186056 0.0163808529 0.0404141986 -0.0000420775 -0.0185153277 0.0466457447 -0.0000367671 -0.2299212795 -0.0013981702 0.0004033232 0.0455589161 -0.0229416431 0.0000373569 0.0440130867 0.0240016762 -0.0002233889 -0.0769907970 0.0509995214 -0.0003796003 -0.0770623064 -0.0516755831 -0.0008890658 0.1192926625 -0.0699979087 0.0015943849 0.1195427856 0.0697366628 0.0002816410 -0.1813670388 0.1204527086 0.0617148282 0.5086222620 0.2205497595 -0.0031686843 -0.1723031944 0.1270813081 -0.0660119297 0.5025797102 -0.2170182412 0.0012321843 -0.1798969312 -0.1219614467 0.0639987033 -0.1712270653 -0.1279466542 -0.0650434837 0.0872595066 -0.0070484348 0.0016678654 0.1034496727 0.0212241978 -0.0011187694 0.0516412228 -0.0013994239 -0.0001126041 -0.0414413837 -0.1512177141 0.0003152312 -0.0519854682 0.1677017687 0.0003466450 0.0007313904 0.0008980144 -0.0004224961 -0.0002536672 -0.0004888721 0.0000772570 0.0000857462 -0.0005982916 -0.0000456272 0.0002615588 0.0001657753 0.0562107988 -0.0000452526 0.0004576100 -0.0525242490 -0.0002927817 0.0002021279 0.0996960765 -0.0002272207 -0.0003210167 -0.1064916953 -0.3686675180 -0.2137565582 -0.1329905091 -0.0003926538 -0.0002676627 -0.2343296652 0.3701980155 0.2126627686 -0.1318362612 0.0022961614 0.0009825705 0.2497281647 0.3922491567 -0.2267983022 0.1420119010 -0.3970570405 0.2287926605 0.1408996467 0.0008127428 -0.0012732711 0.0241739364 -0.0013298481 -0.0014254117 -0.0241744653 -0.0001860832 0.0005321645 0.0000112480 -0.0027549903 -0.0043111035 -0.0021628970 0.0031557260 -0.0054127408 0.0029033111 0.0008738461 -0.0001801368 0.0129159963 0.0000582783 0.0000352084 -0.0004515471 -0.0002763321 0.0000494371 -0.0004096227 0.0005958173 -0.0006097541 -0.0538963752 0.0002625990 0.0005899448 -0.0574481111 -0.0006293975 0.0004225030 0.1065608628 -0.0007536815 -0.0001935060 0.0996983212 -0.3925531231 -0.2289469505 -0.1421411879 -0.0022084614 -0.0011807428 -0.2530782837 0.3953865651 0.2266630375 -0.1403595172 -0.0068197616 0.0013327421 -0.2356295149 -0.3656209045 0.2131966097 -0.1332856367 0.3724873957 -0.2134325221 -0.1314436664 -0.0030480028 0.0023594150 0.0053308755 -0.0003520638 -0.0002950300 0.0045608485 -0.0000220626 -0.0002741997 -0.0016510964 0.0005166534 0.0006492065 -0.0042998277 -0.0008147472 0.0013351521 -0.0039860294 -0.0017772111 0.0975680740 -0.0000099672 -0.0140324485 -0.0278991910 -0.0000208763 0.0143841205 -0.0267891444 0.0000769010 0.0206280047 0.0101130103 -0.0004234333 -0.0222983038 0.0077860567 0.0002638495 0.0166526121 -0.0174316881 -0.0005463671 -0.0151883215 -0.0173289394 0.0011695296 -0.0449057202 0.0378928962 0.0217531969 0.1284794947 0.0664470620 0.0015646411 -0.0494981457 0.0360919353 -0.0207000517 -0.1188644751 0.0611058716 -0.0046498726 0.0450970297 0.0391186772 -0.0227930541 0.0495890399 0.0352030613 0.0202467455 0.1095394045 -0.1092096711 -0.0010973066 -0.1025616317 -0.1042779273 0.0003152045 0.0006093355 0.0664480674 0.0000105753 -0.3460763763 -0.5685832451 -0.0001981281 0.3452914186 -0.5650245636 -0.0003078738 -0.0251076104 -0.0023375208 0.0000163390 0.0376574634 0.0553541201 0.0000137037 0.0373804458 -0.0517358967 -0.0002645669 0.0554261953 -0.0913873450 0.0000295510 0.0590632998 0.0865162032 0.0001952680 -0.0318941325 -0.0591891866 -0.0001151244 -0.0296995928 0.0618911882 -0.0004759543 -0.1746106616 0.0605830719 0.0468421221 0.0657810415 0.0201101403 -0.0003709360 -0.1780289866 0.0607663555 -0.0468477737 0.0717064656 -0.0219117381 0.0031896809 -0.1805772789 -0.0661943164 0.0517560151 -0.1772006546 -0.0658789685 -0.0503157949 -0.4919865410 0.3969528314 0.0029035476 -0.4920202759 -0.3916692820 -0.0008009571 0.0103674048 0.0041054025 -0.0000195626 -0.0117063410 -0.0350711331 0.0002102244 0.0035087794 0.0177263107 0.0003541674 0.0017595736 -0.1958148400 0.0000574733 0.0467519793 0.1076898946 0.0000351313 -0.0497931060 0.1113419802 -0.0000647034 -0.1274383645 -0.1057681119 -0.0000180128 0.1226255062 -0.1110602218 -0.0001211556 -0.0578126641 0.0561956065 -0.0000497790 0.0608892732 0.0526178493 -0.0002584418 0.0847500041 -0.1485318456 -0.1017451440 -0.2936578245 -0.1226506662 0.0003947304 0.0870878981 -0.1494730439 0.1022429693 0.2882480960 -0.1205614262 0.0019583034 -0.0779788915 -0.1445269514 0.0997011451 -0.0733278980 -0.1468903450 -0.0985730013 -0.1385321478 0.1940096216 0.0014320802 0.1749043884 0.2227280919 -0.0002260878 -0.0003886048 0.2189444020 -0.0000173316 -0.3046619973 -0.2684253894 0.0001561817 0.3029115380 -0.2667642379 0.0001195229 -0.2282757928 -0.0125929764 0.0001174358 0.0334120281 0.1900409836 0.0000169128 0.0386137467 -0.1875130055 -0.0001010142 0.1112135264 0.2117704388 0.0003855112 0.0981877504 -0.2088974999 0.0000445306 -0.0396297805 0.0745801990 0.0001439543 -0.0518157121 -0.0738598591 0.0009285133 0.1436027299 -0.2798299561 -0.1922847833 -0.0847838988 0.0304442895 -0.0031630652 0.1402323384 -0.2773593675 0.1922768044 -0.0592298776 -0.0582138158 -0.0124054019 0.1692116700 0.2988459289 -0.2000122176 0.1528359554 0.2961473088 0.1955410426 -0.2644349560 0.0579662639 0.0013603047 -0.2715567694 -0.0546307708 -0.0001029124 0.0148303099 0.0051341280 0.0000245988 -0.0278927065 -0.0477590644 -0.0001222574 -0.0202148884 0.0496524896 -0.0004979721 -0.0121262080 0.4135842751 0.0000300896 0.1772135330 -0.0938960409 -0.0000954467 -0.1733086912 -0.1132646575 0.0000398972 -0.3704104707 0.0418034989 -0.0004534619 0.3814233600 0.0192234252 0.0002570236 -0.2292835271 -0.0453703009 0.0002267585 0.2287098292 -0.0542175918 -0.0003757735 0.1418455754 -0.1165082407 0.0228808747 0.0263483988 0.1486351072 -0.0062907106 0.1336376491 -0.1120628063 -0.0231651830 -0.0510732216 0.1597768607 0.0106260219 -0.1460182043 -0.0921236726 -0.0445228218 -0.1283123629 -0.0858146712 0.0458649499 -0.1737845645 -0.1808586491 -0.0005479766 0.1438729900 -0.1882738451 -0.0001568766 0.0007631884 -0.1515009930 -0.0001131444 0.1307532107 -0.0022367955 0.0009197138 -0.1339020277 0.0044335698 0.0004348040 -0.0050469900 -0.0669830932 -0.0002129577 0.0282494671 -0.0493258718 0.0000751770 -0.0411525214 -0.0348505635 0.0000461980 -0.0401030475 0.0659507581 0.0044164057 0.0610421968 0.0871701288 -0.0006031231 0.0016503553 -0.0442783979 -0.0014289346 -0.0692660073 -0.0158642492 0.0111328684 -0.1687977407 0.2210043477 0.1353281226 -0.1741234076 -0.1671851849 0.0216308857 -0.1404645190 0.2052912248 -0.1335279220 0.4044416643 -0.3645039701 -0.1678542364 0.4849413356 0.2472272515 -0.0486248394 0.2752533770 0.1288268435 0.0260145766 -0.0103846486 -0.0799848546 0.0000228171 0.0383685896 -0.0601713249 -0.0002328504 0.0017062956 0.0258068755 0.0000045444 -0.0311996508 -0.0141991679 0.0007394824 0.0312059369 -0.0097914158 -0.0009813808 0.0263253732 -0.0259328875 0.0001582979 0.0299165043 -0.0003491552 -0.0000628800 0.0055367029 -0.0293784507 -0.0000671461 -0.0526849847 0.0467951360 -0.0016216738 -0.0191901902 0.0095658902 -0.0012898123 0.1106441448 0.0266542600 -0.0032081148 0.0834942526 -0.0486984483 -0.0037962313 -0.4636661924 0.0392900437 -0.1171953503 -0.3961379771 -0.3494370068 0.0503126203 -0.3993827113 0.0022135333 0.1224569750 -0.1949631557 0.1639118630 0.0614357597 -0.2744859338 0.0973563884 -0.1753327561 -0.1951170019 0.1437086835 0.1811338122 -0.0446978718 0.0069230327 0.0001651753 -0.0285140559 -0.0579540914 0.0007168770 -0.0053433671 0.0097912735 -0.0000032855 -0.0089494979 0.0064823188 -0.0000937168 0.0157836547 -0.0173364405 -0.0000473770 0.0051646752 0.0124978309 -0.0009713301 -0.0024524163 0.0079425863 0.0004362433 0.0074150664 0.0055068341 0.0003872129 0.0014589136 -0.0120444324 0.0175068295 -0.0129647926 -0.0138848163 0.0002559869 0.0075786079 0.0102312917 0.0011685887 0.0186090776 0.0002162615 0.0448606314 0.0084130715 -0.0504491724 -0.0387620327 0.0073299190 0.0085932371 -0.0197590495 -0.0182251358 -0.0360923480 0.0364316339 -0.0738902555 0.0618662896 -0.6853379427 0.3395128255 0.2293679907 -0.0540657097 -0.5179073709 -0.2636861985 -0.0248571378 -0.0026931211 0.0170158694 -0.0055119975 -0.0086552123 0.0055118302 -0.0016766508 -0.0007451167 -0.0046475808 -0.0000361987 0.0066971072 0.0054104688 0.0032459505 -0.0049722001 0.0001547575 -0.0024157579 0.0022095212 -0.0057934786 -0.0009141892 0.0022555031 -0.0017111766 0.0003450217 -0.0006039719 -0.0024190874 0.0004167860 -0.0042922272 0.0048217208 -0.0007334634 -0.0002359975 0.0042641451 0.0177593973 0.0051813087 -0.0003454881 0.0454735395 0.0033601122 -0.0039628405 -0.0014157644 0.4133530971 -0.2445655492 -0.0419711075 -0.0207168053 -0.0201896737 -0.6939568265 -0.4605688190 0.2586573930 -0.0405097438 -0.0000663212 -0.0006747762 0.0198496870 -0.0169824920 0.0090359393 -0.0140266555 0.0058774127 0.0238904418 0.0163662047 -0.0026205510 -0.0015484392 -0.0019207276 0.0003545585 -0.0042260381 -0.0049293768 -0.0003492637 0.0022382112 -0.0000273937 -0.0021987530 0.0001620112 -0.0020400564 0.0026265849 -0.0017745088 0.0040995592 -0.0000071435 0.1092540409 -0.0000126572 0.0143932371 0.0061382707 0.0000195218 -0.0144932040 0.0058915913 0.0000057877 0.0059127733 -0.0373326091 -0.0000868565 -0.0060195485 -0.0374763385 0.0003104700 0.0668520006 0.0561910178 0.0008335469 -0.0670906889 0.0559290079 -0.0005889306 -0.2777267461 -0.2551311723 -0.2799471005 -0.1575527652 -0.1181422748 -0.0124587585 -0.2939356606 -0.2464068118 0.2783652166 0.1607740687 -0.1212332135 0.0044817173 0.2855042622 -0.2466501262 0.2783939085 0.2879960849 -0.2473659875 -0.2751688918 0.0069239584 -0.0152095118 0.0002882623 -0.0061060610 -0.0144709576 -0.0001276175 -0.0000191164 -0.0436916492 -0.0000063322 0.0360953675 0.0009901718 -0.0000814342 -0.0361627470 0.0012209907 0.0001536518 0.0474992619 0.0047346362 -0.0000030194 0.0018695253 -0.0179821411 -0.0000221317 0.0040343677 0.0209842190 -0.0000474744 -0.0293105808 -0.0537918123 -0.0004276683 -0.0311093012 0.0452102251 -0.0001248244 -0.0072779856 0.0201592003 -0.0005036567 -0.0060672339 -0.0182518192 -0.0009963612 -0.0360612154 -0.3378524566 -0.2411477069 0.2808468297 0.2284352287 0.0066639665 -0.0293182580 -0.3423185388 0.2422195538 0.2850504169 -0.2297826514 0.0201049854 -0.0650301200 0.3378693555 -0.2500076328 -0.0365842765 0.3559088776 0.2474877795 -0.0141247676 0.0379555333 0.0010982963 -0.0157523739 -0.0323370826 -0.0000768630 -0.0013603417 -0.0014501872 0.0000229155 0.0062212353 0.0142332288 -0.0000892973 0.0021446954 -0.0118649113 -0.0001016850 0.0000379546 0.1615001676 0.0000264465 0.0055148828 0.0560644970 0.0000353992 -0.0046167384 0.0526455011 -0.0000242057 0.0267067044 -0.1399036044 -0.0001741627 -0.0279663821 -0.1449507814 0.0000093787 0.0325576094 0.0165290883 0.0003939441 -0.0299657388 0.0177102096 -0.0004989809 0.0942040626 0.3163835588 0.2098714048 -0.3409730307 -0.2593415214 -0.0046511843 0.0908997910 0.3193856880 -0.2106586558 0.3190702566 -0.2413486942 0.0103592597 -0.1006433546 0.2857725626 -0.1932281878 -0.0847898017 0.2954655274 0.1903990034 0.0028221460 0.0587028783 0.0008612519 -0.0035024704 0.0601585127 -0.0000066165 -0.0002137784 -0.0453339110 -0.0000141012 0.0385535540 -0.0031072246 0.0001513852 -0.0378104019 -0.0040125208 0.0001484255 0.2330821799 -0.0011557785 -0.0001226760 0.0982114311 0.1312310114 0.0000019011 0.0979224515 -0.1326718274 -0.0001470375 -0.2209191414 0.0825965283 -0.0000560045 -0.2201014444 -0.0798028610 -0.0001030320 0.0315618613 0.0139465035 -0.0001621057 0.0330235905 -0.0139377339 -0.0000618701 0.2535448832 0.0998483169 0.1132442537 0.1368216717 0.0938922899 0.0030626689 0.2568727470 0.0979444075 -0.1124929293 0.1262541566 -0.0862499762 0.0015302037 0.2543517976 -0.1069557635 0.1183366515 0.2560400678 -0.1072155578 -0.1176291932 -0.3499303566 0.2308075153 0.0015537912 -0.3521569831 -0.2334774128 -0.0002827905 -0.0345146331 0.0002770312 0.0000543728 0.0216023128 0.0869418013 0.0000909511 0.0217160138 -0.0865652657 0.0000577808 0.0000741072 -0.0520107368 0.0000032429 0.4073500668 0.0696598777 -0.0001052413 -0.4073857264 0.0710084179 0.0002358173 0.1322087418 -0.0055195279 0.0000560010 -0.1318474645 -0.0039130888 -0.0000554596 0.0159257768 -0.0070166485 -0.0000953533 -0.0169550266 -0.0071083301 -0.0000743265 0.0734156498 -0.0203334624 0.0123367044 0.1256990537 0.0764336780 0.0016995278 0.0746281890 -0.0211693452 -0.0120299621 -0.1187538653 0.0720774233 -0.0005511037 -0.0714045200 -0.0168038186 -0.0141758889 -0.0739689798 -0.0168731374 0.0148151857 0.1591100089 -0.4999336330 -0.0014399424 -0.1625941728 -0.5028245656 -0.0000670341 0.0000678416 0.0126135548 0.0000215317 -0.0041214134 0.0177530456 -0.0002389313 0.0040265582 0.0174989525 -0.0001642960 0.0000346114 0.0089409516 -0.0000029697 -0.0003143260 -0.0009123084 0.0000004904 0.0003131133 -0.0009175164 0.0000013297 0.0002806314 -0.0002748497 0.0000011528 -0.0002868657 -0.0002733116 0.0000014646 -0.0005292450 0.0005011542 -0.0000018837 0.0005295371 0.0005152036 -0.0000174970 -0.0000652508 -0.0017880592 0.0021612138 0.0006275236 0.0027949477 0.0000068152 -0.0001670960 -0.0017450787 -0.0021717221 -0.0006082322 0.0027863996 0.0000104331 0.0001429819 -0.0017866987 -0.0021014730 0.0002648529 -0.0017043540 0.0022473938 0.0005150393 -0.0010221975 0.0000094633 -0.0005279878 -0.0010150245 0.0000204552 0.0011371875 -0.0703657964 -0.0000488618 -0.6235350969 0.3451517423 0.0014362645 0.6106162974 0.3378358254 -0.0008770025 0.0020139293 -0.0000711081 -0.0000023805 -0.0000537022 0.0001010847 0.0000009907 -0.0000485277 -0.0000732947 -0.0000010741 -0.0002447030 -0.0005593145 -0.0000001706 -0.0002208432 0.0005563480 -0.0000026543 0.0002572926 -0.0007463300 0.0000143928 0.0002261506 0.0007252763 -0.0000125161 0.0002187130 0.0031886347 -0.0016528924 -0.0018914329 -0.0012628058 0.0000121706 0.0003937493 0.0030504292 0.0015748048 -0.0016744786 0.0011814365 0.0000478687 0.0003651252 -0.0030151842 -0.0015275212 0.0005321629 -0.0028718379 0.0016570673 -0.0001589437 0.0000235319 0.0000089423 -0.0000286643 0.0000528289 0.0000108907 0.1093489410 0.0007628247 -0.0002019468 -0.6002624539 0.3500200646 0.0012671254 -0.6140526833 -0.3578923795 0.0008538186 0.0011903652 -0.0003552903 0.0000009658 0.0006854127 0.0008723216 0.0000017891 0.0003548334 -0.0004974973 -0.0000014522 -0.0005997277 0.0000888376 0.0000078811 -0.0009568468 -0.0000260557 -0.0000015172 -0.0350386998 -0.0241412570 0.0000281182 -0.0213090689 0.0144474635 -0.0004994520 0.0958097438 0.2945331927 -0.4438971781 0.2272241023 -0.3040436534 0.0003709265 0.0947562758 0.2943959895 0.4431939036 0.1390719320 0.1854416000 -0.0017664175 0.0565695772 -0.1782131664 -0.2649541488 0.0587730037 -0.1781621409 0.2725011486 -0.0036218959 -0.0026900819 0.0000124518 -0.0026348256 0.0021947861 0.0000057224 -0.0006293981 -0.0000117058 0.0000002549 0.0025151826 -0.0001612451 0.0000179262 0.0044036538 0.0011500293 0.0000210374 0.0002914322 0.0014466948 0.0000001922 -0.0007401212 -0.0004406981 -0.0000018918 0.0010909787 -0.0006767058 -0.0000048159 -0.0009242210 -0.0001518657 0.0000132960 0.0005448704 -0.0001708396 0.0000004109 0.0213219823 0.0147224931 -0.0000175764 -0.0352260312 0.0239735152 -0.0008085627 -0.0583271646 -0.1788027961 0.2691917078 -0.1380145684 0.1841782174 -0.0002179084 -0.0576934957 -0.1787035379 -0.2687566673 0.2292968047 0.3050943237 -0.0028904837 0.0936718780 -0.2940683182 -0.4367680529 0.0972471786 -0.2938422902 0.4490853228 -0.0020612220 -0.0009769334 -0.0000171720 -0.0008262346 0.0008726294 0.0000075992 -0.0001627059 0.0000221439 0.0000036123 0.0045015980 -0.0022758596 0.0000598986 -0.0028410788 -0.0019011028 -0.0000098788 0.0000013663 0.0000041917 0.0002453841 0.0000076740 -0.0000044650 -0.0004185300 -0.0000047707 -0.0000080986 -0.0000246960 -0.0000017824 -0.0000017492 -0.0000840742 0.0000010416 0.0000016091 0.0006752275 0.0000525879 -0.0000337827 -0.0944894507 -0.0000629647 -0.0000031163 0.0101307999 -0.1245406466 -0.3935850049 0.5646591592 0.0003775128 -0.0005253790 -0.0110280519 0.1234994134 0.3944404769 0.5652090782 0.0009133384 0.0012391607 0.0011299361 0.0132959813 -0.0428583855 -0.0605620720 -0.0134889976 0.0416580712 -0.0607087489 0.0000585177 0.0000566683 -0.0000149812 -0.0000291403 0.0000766817 0.0003969648 0.0000096061 0.0000021182 -0.0001346154 -0.0000583511 0.0000278428 -0.0003978401 -0.0000495547 -0.0000122905 0.0013730517 0.0000073059 0.0000071497 -0.0003033433 0.0000031437 -0.0000022466 0.0001141512 0.0000073691 -0.0000085213 0.0004308555 0.0000149800 -0.0000105598 -0.0006757459 -0.0000000001 -0.0000022528 -0.0000608027 -0.0000073974 0.0000002248 0.0101536774 -0.0005802877 0.0000463108 0.0945044977 0.0132889088 0.0423096294 -0.0606333673 -0.0000532306 0.0000377939 0.0012171073 -0.0131559629 -0.0423432100 -0.0605978044 0.0080364216 0.0108080359 0.0108650012 0.1235122290 -0.3993591390 -0.5646687250 -0.1247968405 0.3882408194 -0.5652270195 -0.0000077777 0.0000329842 -0.0004135590 -0.0000447069 0.0000615051 -0.0000803449 -0.0000106262 -0.0000047791 0.0001796507 -0.0000962838 -0.0000706474 -0.0013338193 0.0000104893 0.0000014475 0.0001195162 -0.0004783018 -0.0001039019 0.0000008181 0.0004767803 -0.0001628133 -0.0000027834 0.0000157182 0.0001027027 -0.0000015270 -0.0000305631 0.0001158074 -0.0000001877 -0.0010458880 -0.0005298707 -0.0000027327 0.0368142063 -0.0868554165 0.0000368722 0.0016365044 0.0039307190 0.0000099383 0.0577984013 0.1591578139 -0.2539620105 -0.5355094547 0.7180754247 -0.0008583054 0.0573469528 0.1596141905 0.2543544347 -0.0240173832 -0.0321454165 0.0002952532 0.0026551174 -0.0075139076 -0.0117381923 0.0026115174 -0.0069881792 0.0113456197 -0.0003255856 -0.0007377404 -0.0000006772 -0.0038334846 0.0053137145 0.0000548653 -0.0003070931 0.0000017195 0.0000000924 0.0012547336 -0.0004168654 0.0000063982 0.0023353425 0.0006983569 0.0000263999 -0.0004239133 0.0001406873 -0.0000066497 -0.0000071386 -0.0000420195 0.0000023286 -0.0000494171 -0.0003847659 0.0000070831 -0.0010571358 0.0005463322 -0.0000038069 0.0000707407 -0.0000694572 0.0000001320 -0.0016764435 0.0038800923 -0.0000111105 0.0367378441 0.0869444861 0.0002632243 -0.0025627036 -0.0070810451 0.0113340480 0.0241496705 -0.0324007782 0.0000317807 -0.0025187556 -0.0070121796 -0.0112330988 -0.5358608475 -0.7159254355 0.0065174493 0.0588240977 -0.1664320861 -0.2607144487 0.0571863729 -0.1546484839 0.2510039392 0.0022017715 -0.0003863314 0.0000247826 0.0005275305 -0.0003068468 -0.0000122821 -0.0002819524 -0.0000110667 0.0000030105 0.0021163020 -0.0006949306 0.0000270697 0.0009726509 0.0003569652 0.0000041726 0.0016489885 0.0000351531 0.0000001852 -0.0378112479 0.0471763606 0.0000281042 -0.0399244197 -0.0492534460 0.0000171071 -0.0002301277 0.0007630077 -0.0000010164 -0.0001901004 -0.0006372171 -0.0000018488 -0.0001046185 -0.0003810366 0.0000007579 -0.0003534249 -0.0000959830 0.0000003836 0.0017044337 0.0018344246 -0.0027392024 -0.0005464927 0.0037264067 -0.0000280715 0.0017029425 0.0018335446 0.0027252133 0.0024174621 0.0017355575 -0.0000631986 0.0015042874 -0.0014034328 -0.0018901664 0.0015130102 -0.0013912199 0.0019241862 0.4649443942 0.5486101609 -0.0001391008 0.4446702279 -0.5266652769 -0.0002886530 -0.0000804384 -0.0000029131 -0.0000005345 0.0001097432 0.0001632964 -0.0000026944 0.0001023808 -0.0001666897 -0.0000067837 -0.0000283364 0.0012950176 -0.0000001181 0.0496666296 -0.0495544457 -0.0000338362 -0.0480329809 -0.0474740671 0.0000192432 -0.0009958611 0.0028798958 0.0000017311 0.0010207047 0.0029251659 0.0000011262 -0.0001450111 0.0001657916 0.0000084395 -0.0000405460 -0.0001969363 -0.0000069406 -0.0010701559 -0.0007034954 0.0007836506 0.0009097932 -0.0040169303 0.0000172848 -0.0010911886 -0.0007760211 -0.0009229037 0.0012211126 0.0004754320 -0.0000344809 0.0008366452 -0.0003876811 -0.0001555382 0.0008357136 -0.0004579197 0.0002738049 0.4494083388 0.5213652235 -0.0001374043 -0.4682701892 0.5453474324 0.0003022407 0.0000032632 -0.0000903366 -0.0000001474 0.0001061838 -0.0001312212 0.0000005716 -0.0001718668 -0.0001323964 -0.0000079995</array>
                  </module>
                  <molecule cmlx:templateRef="atom" id="molecule-rot">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-0.00000073"
                              y3="-0.65686414"
                              z3="0.00007519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a2"
                              x3="-0.67947167"
                              y3="1.5005549"
                              z3="0.00055448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a3"
                              x3="0.67931599"
                              y3="1.50058262"
                              z3="0.00005562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a4"
                              x3="1.09062685"
                              y3="0.18655616"
                              z3="-0.00059622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="N"
                              id="a5"
                              x3="-1.09058126"
                              y3="0.1864505"
                              z3="0.00043449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.46307606"
                              y3="-0.26301723"
                              z3="-0.00072384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C"
                              id="a7"
                              x3="2.46315823"
                              y3="-0.26295644"
                              z3="-0.00011448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a8"
                              x3="-2.67110743"
                              y3="-0.87104445"
                              z3="0.89155215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a9"
                              x3="-3.12511946"
                              y3="0.61046465"
                              z3="-0.00194315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a10"
                              x3="-2.66915298"
                              y3="-0.87184009"
                              z3="-0.89292749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a11"
                              x3="3.12546783"
                              y3="0.6103464"
                              z3="-0.00810429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a12"
                              x3="2.66808634"
                              y3="-0.87781132"
                              z3="-0.8883785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a13"
                              x3="2.67223669"
                              y3="-0.86502097"
                              z3="0.89601093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a14"
                              x3="1.38263155"
                              y3="2.32835315"
                              z3="0.00004213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.38292583"
                              y3="2.32822844"
                              z3="0.00091985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="B"
                              id="a16"
                              x3="-0.00000198"
                              y3="-2.16849087"
                              z3="0.00058016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a17"
                              x3="1.05508787"
                              y3="-2.76804538"
                              z3="-0.00150027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.05493236"
                              y3="-2.7682818"
                              z3="0.0020604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a15" order="S"/>
                        <bond atomRefs2="a2 a5" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a14" order="S"/>
                        <bond atomRefs2="a4 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                     </bondArray>
                     <formula concise="C5H10BN2">
                        <atomArray count="5 10 1 2" elementType="C H B N"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">98.87790000000001</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:0,-.6569,.0001;-.6795,1.5006,.0006;.6793,1.5006,.0001;1.0906,.1866,-.0006;-1.0906,.1865,.0004;-2.4631,-.263,-.0007;2.4632,-.263,-.0001;-2.6711,-.871,.8916;-3.1251,.6105,-.0019;-2.6692,-.8718,-.8929;3.1255,.6103,-.0081;2.6681,-.8778,-.8884;2.6722,-.865,.896;1.3826,2.3284,0;-1.3829,2.3282,.0009;0,-2.1685,.0006;1.0551,-2.768,-.0015;-1.0549,-2.7683,.0021;</scalar>
                     </formula>
                  </molecule>
               </property>
               <property dictRef="cc:thermochemistry">
                  <module cmlx:templateRef="thermo">
                     <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.00</scalar>
                     <list cmlx:templateRef="state"/>
                     <scalar cmlx:templateRef="energy"
                             dataType="xsd:double"
                             dictRef="cc:energy"
                             units="nonsi:hartree">-330.534202459577</scalar>
                     <scalar cmlx:templateRef="zpe"
                             dataType="xsd:double"
                             dictRef="cc:zpe.correction"
                             units="nonsi:hartree">0.150315191710</scalar>
                     <scalar cmlx:templateRef="elec-zpe"
                             dataType="xsd:double"
                             dictRef="cc:zpe.sumelectzpe"
                             units="nonsi:hartree">-330.383887267867</scalar>
                     <scalar cmlx:templateRef="thermal-tr"
                             dataType="xsd:double"
                             dictRef="cc:ethermo.trans"
                             units="nonsi:hartree">0.001416276854</scalar>
                     <scalar cmlx:templateRef="thermal-rot"
                             dataType="xsd:double"
                             dictRef="cc:ethermo.rot"
                             units="nonsi:hartree">0.001416276854</scalar>
                     <scalar cmlx:templateRef="thermal-vib"
                             dataType="xsd:double"
                             dictRef="cc:ethermo.vib"
                             units="nonsi:hartree">0.155962748715</scalar>
                     <scalar cmlx:templateRef="enthalpy-corr"
                             dataType="xsd:double"
                             dictRef="cc:zpe.thermalcorrenthalpy"
                             units="nonsi:hartree">0.159739486992</scalar>
                     <scalar cmlx:templateRef="enthalpy"
                             dataType="xsd:double"
                             dictRef="cc:zpe.sumelectthermalent"
                             units="nonsi:hartree">-330.374462972585</scalar>
                     <scalar cmlx:templateRef="entropy-el"
                             dataType="xsd:double"
                             dictRef="cc:s.elect"
                             units="nonsi2:hartree.K-1">0.000002195066</scalar>
                     <scalar cmlx:templateRef="entropy-tr"
                             dataType="xsd:double"
                             dictRef="cc:s.trans"
                             units="nonsi2:hartree.K-1">0.000063707686</scalar>
                     <scalar cmlx:templateRef="entropy-rot"
                             dataType="xsd:double"
                             dictRef="cc:s.rot"
                             units="nonsi2:hartree.K-1">0.000044551220</scalar>
                     <scalar dataType="xsd:integer"
                             dictRef="cc:symmnumber"
                             units="nonsi2:hartree.K-1">1</scalar>
                     <list cmlx:templateRef="entropy-rot"/>
                     <scalar cmlx:templateRef="entropy-vib"
                             dataType="xsd:double"
                             dictRef="cc:s.vib"
                             units="nonsi2:hartree.K-1">0.000032163272</scalar>
                     <scalar cmlx:templateRef="gibbs-corr"
                             dataType="xsd:double"
                             dictRef="cc:zpe.thermalcorrgfe"
                             units="nonsi:hartree">0.117218155574</scalar>
                     <scalar cmlx:templateRef="gibbs"
                             dataType="xsd:double"
                             dictRef="cc:zpe.sumelectthermalfe"
                             units="nonsi:hartree">-330.416984304003</scalar>
                  </module>
               </property>
            </propertyList>
            <molecule cmlx:templateRef="atom" id="molecule">
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="-0.11806955"
                        y3="0.57819506"
                        z3="-0.03829857">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="C"
                        id="a2"
                        x3="-0.60302242"
                        y3="-1.62246318"
                        z3="0.15679614">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="C"
                        id="a3"
                        x3="0.74978488"
                        y3="-1.505541"
                        z3="0.10634048">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="N"
                        id="a4"
                        x3="1.04264212"
                        y3="-0.16536751"
                        z3="-0.01203284">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                  </atom>
                  <atom elementType="N"
                        id="a5"
                        x3="-1.12897838"
                        y3="-0.35301614"
                        z3="0.06872779">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                  </atom>
                  <atom elementType="C"
                        id="a6"
                        x3="-2.53528265"
                        y3="-0.02472131"
                        z3="0.08591429">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="C"
                        id="a7"
                        x3="2.36919291"
                        y3="0.39901731"
                        z3="-0.09942271">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H"
                        id="a8"
                        x3="-2.82354692"
                        y3="0.48809854"
                        z3="-0.84309062">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H"
                        id="a9"
                        x3="-3.11681972"
                        y3="-0.94888624"
                        z3="0.1808214">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H"
                        id="a10"
                        x3="-2.76733152"
                        y3="0.63506578"
                        z3="0.93443927">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H"
                        id="a11"
                        x3="3.10635309"
                        y3="-0.4104697"
                        z3="-0.04744857">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H"
                        id="a12"
                        x3="2.5456793"
                        y3="1.09983391"
                        z3="0.72928935">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H"
                        id="a13"
                        x3="2.49660938"
                        y3="0.94148944"
                        z3="-1.04743394">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H"
                        id="a14"
                        x3="1.52348482"
                        y3="-2.26694231"
                        z3="0.14524124">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H"
                        id="a15"
                        x3="-1.22990252"
                        y3="-2.50483641"
                        z3="0.24806599">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="B"
                        id="a16"
                        x3="-0.25228676"
                        y3="2.07908746"
                        z3="-0.15797889">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">5</scalar>
                  </atom>
                  <atom elementType="H"
                        id="a17"
                        x3="0.74498122"
                        y3="2.76535007"
                        z3="-0.24274163">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H"
                        id="a18"
                        x3="-1.35585428"
                        y3="2.58374921"
                        z3="-0.16718117">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a16" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a7 a13" order="S"/>
                  <bond atomRefs2="a7 a11" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
               </bondArray>
               <formula concise="C5H10BN2">
                  <atomArray count="5 10 1 2" elementType="C H B N"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">98.87790000000001</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/C5H10BN2/c1-7-3-4-8(2)5(7)6/h3-4H,6H2,1-2H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,2,3,1,16,5,4/E:(1,2)(3,4)(7,8)/CRV:3.3,4.3,5.3/rA:18nC3C3C3NNCCHHHHHHHHBHH/rB:;s2;s1s3;s1s2;s5;s4;s6;s6;s6;s7;s7;s7;s3;s2;s1;s16;s16;/rC:-.1181,.5782,-.0383;-.603,-1.6225,.1568;.7498,-1.5055,.1063;1.0426,-.1654,-.012;-1.129,-.353,.0687;-2.5353,-.0247,.0859;2.3692,.399,-.0994;-2.8235,.4881,-.8431;-3.1168,-.9489,.1808;-2.7673,.6351,.9344;3.1064,-.4105,-.0474;2.5457,1.0998,.7293;2.4966,.9415,-1.0474;1.5235,-2.2669,.1452;-1.2299,-2.5048,.2481;-.2523,2.0791,-.158;.745,2.7654,-.2427;-1.3559,2.5837,-.1672;</scalar>
               </formula>
            </molecule>
            <module dictRef="energy.info" id="energy.info1">
               <scalar cmlx:templateRef="symmetry-group"
                       dataType="xsd:string"
                       dictRef="cc:pointgroup">Cs</scalar>
               <scalar cmlx:templateRef="energy"
                       dataType="xsd:double"
                       dictRef="cc:energy"
                       units="nonsi:hartree">-330.534202459577</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.758682607351</scalar>
               <array cmlx:templateRef="gradient-vector"
                      dataType="xsd:double"
                      dictRef="cc:grad"
                      size="54">-0.000001289660 -0.000000279297 -0.000002210764 0.000002312178 -0.000000443991 0.000003436379 0.000002031837 0.000001171526 0.000001660095 -0.000000004221 0.000002568614 -0.000002026985 0.000001079031 -0.000001136503 0.000002114816 0.000000959124 -0.000002842521 0.000002475896 -0.000000292199 0.000002330512 -0.000007986065 -0.000001231760 -0.000004270563 0.000001964348 0.000001195200 -0.000003940366 0.000004886141 0.000000262958 -0.000001217197 0.000002883294 0.000002473389 0.000002911337 -0.000000914655 -0.000000669429 0.000007010452 -0.000003011098 -0.000003801066 0.000000217748 -0.000000304684 0.000003119617 0.000001779391 0.000002182468 0.000003013289 -0.000001520030 0.000005551769 0.000000243430 0.000000681227 -0.000005716324 -0.000005282517 -0.000001624798 -0.000003454822 -0.000004119202 -0.000001395541 -0.000001529807</array>
               <array cmlx:templateRef="hess"
                      dataType="xsd:double"
                      dictRef="cc:hessianmatrix"
                      size="1485">0.582113103 -0.012476770 0.707131015 -0.012122174 -0.045990836 0.146620630 0.007653249 0.009329856 -0.000669254 0.835773212 -0.040262914 -0.072951103 0.008140365 0.158856205 0.739597773 0.003373282 0.006656832 0.010607875 -0.034882635 -0.055996683 -0.000358986 0.003880738 0.000042696 -0.462607298 -0.032155076 0.053506552 -0.065641792 0.004680560 -0.033021820 -0.089647902 -0.004063339 0.006189165 0.010872352 0.014645062 0.002787825 -0.246307198 0.049294119 0.001313950 -0.036681123 -0.032172821 0.089833243 -0.161965215 0.005075155 -0.068205373 -0.045632483 -0.001981294 0.006231259 -0.067979261 0.007132502 0.006069882 -0.219478197 -0.058697663 0.009382220 -0.153752043 0.072174798 -0.099293249 -0.188597541 0.012898240 0.058797690 -0.284556112 0.012805322 0.011699717 -0.068885583 -0.001548020 0.017158526 -0.026105092 -0.004813048 0.001127592 -0.015040665 0.011880855 -0.020579147 0.016288091 -0.000909520 0.029363848 0.000096142 0.002397121 -0.001413794 -0.002633354 -0.002053199 -0.000788160 -0.029255239 -0.003259863 0.001065812 0.003356839 0.004365670 0.012508428 0.019295007 -0.002191325 -0.001294243 -0.003853204 -0.000284944 -0.001705781 -0.002527861 0.000152596 0.000448999 0.002761064 0.002915264 -0.000926445 -0.000496939 -0.004223719 -0.001005657 -0.000486402 -0.000375726 0.001039211 0.001060887 0.000306384 0.000965120 0.000674780 0.001032036 -0.001322331 -0.002147206 0.005254029 -0.000343841 0.001723837 -0.002215796 0.001702656 -0.000494165 0.000010899 0.001902601 0.001210946 -0.000070610 -0.000091817 0.000321949 -0.000210036 0.000015349 0.002765736 0.002944835 0.000326309 -0.000397650 -0.003704166 -0.001032510 -0.000552009 0.000648776 0.000797728 0.001106593 -0.000278028 -0.000932928 0.000733257 -0.001187737 0.001296080 -0.000894147 -0.005269356 0.000437576 -0.000449180 0.000284954 -0.001761455 -0.001716399 0.000214877 -0.000109448 0.000403261 0.000202055 0.000336595 0.000280897 0.000005575 -0.000059625 0.003027083 -0.002381268 -0.000561795 -0.002128222 -0.000669467 0.001653711 -0.000784159 0.000473154 -0.000363864 -0.000881431 0.000267109 -0.000688191 0.000746425 -0.000192348 -0.000052981 0.003048263 -0.002235226 0.000843940 -0.002160835 -0.000719270 0.001571344 -0.000716513 -0.000316483 -0.000345001 -0.000906593 -0.000672106 0.001077904 0.000647568 0.000361424 0.000201993 -0.000967359 -0.002831874 0.000347543 -0.003166433 0.020070766 -0.003887150 -0.003325084 0.000631319 -0.004608104 0.009540455 0.000443459 0.000598809 0.002901623 0.000528666 -0.001232408 -0.002239750 0.003038414 -0.000093334 -0.167987630 -0.151326120 0.004101729 -0.002108088 0.000289458 -0.144419867 -0.259111767 -0.000178680 0.000319257 0.002945061 0.016127266 0.023672349 -0.075612913 0.014276641 -0.000186087 -0.003875373 -0.000754542 0.014403327 -0.234407434 0.015577284 -0.007207341 0.006016293 -0.000153872 0.015521303 -0.040660260 0.000707942 -0.000451773 0.002317914 0.005412134 -0.000436605 0.000517064 -0.000309539 -0.019371240 -0.005792570 0.001246882 -0.000905611 -0.000848961 0.001601977 0.000618946 0.002639344 0.000081089 0.000126968 -0.000320326 -0.004380960 0.000451897 -0.000280811 0.000880184 0.020389102 -0.003175639 -0.000103076 0.000393535 -0.000642795 -0.001591660 0.000608442 0.002694559 -0.000030928 -0.000014373 0.119624469 0.014555587 0.889607966 0.002800093 -0.136162726 0.688342222 -0.068762995 -0.012208004 -0.042904985 0.117953045 0.004227895 -0.135223809 -0.045178622 0.006361917 0.785492415 0.007140183 -0.031869292 -0.302073661 0.021764459 0.076936021 0.015809387 0.005299211 0.022272632 -0.049654346 -0.026326034 -0.002634788 -0.054971843 0.031254423 -0.000407533 -0.073458962 0.017610868 0.067339407 -0.028550484 0.001652669 -0.010488875 -0.049023162 -0.003375867 0.002668510 0.016395910 0.003148963 -0.000618173 0.003675561 -0.002998734 0.000257278 -0.001420608 -0.001349706 0.002637795 -0.004130376 0.000567403 -0.004284598 -0.004918356 -0.000210635 0.000747420 0.003638486 0.000448734 -0.000359767 -0.007357412 -0.013190431 0.001189206 -0.234651982 0.000666813 -0.030680479 -0.007354657 0.001093463 -0.053710044 0.003650943 0.002542265 0.000538325 -0.005200532 0.009841734 -0.002389953 -0.002279399 0.000494127 0.000557852 -0.000239486 0.000849725 0.000084062 -0.000771346 -0.000258872 -0.000108978 -0.000507907 -0.000242550 0.000094111 -0.000343756 0.000157118 0.000174954 -0.000396383 -0.000423386 0.000041442 -0.001596570 -0.000138621 -0.000025280 0.000332778 -0.000047241 0.000584287 0.000584589 0.000012595 -0.000028931 -0.000190439 0.000015885 0.003041913 -0.002298620 0.000404654 -0.000520926 -0.000261513 -0.001186434 0.000147465 -0.000740051 0.000317489 -0.000123540 -0.000660746 0.000344153 -0.000060049 -0.000362143 -0.000108003 -0.000004758 0.001631993 0.002337720 -0.000202791 -0.028972660 -0.000047819 -0.001839759 0.001227549 0.000004412 -0.015656294 -0.000183725 0.000109400 -0.000130158 0.000588580 0.002147570 0.000592278 -0.001014738 0.003429837 -0.002787240 -0.015264030 0.000426654 -0.001258395 0.001546439 -0.001617314 -0.008497437 -0.000385108 0.000997932 0.001211388 -0.000517854 -0.001901072 -0.000370807 -0.000841407 0.003782540 0.002209156 -0.013823416 -0.000329247 -0.001291983 0.001535545 0.001337316 -0.007578505 -0.000331665 -0.000740518 -0.001773784 -0.000616942 0.004627175 -0.001496589 -0.222704566 0.159016713 -0.007181548 0.010204970 -0.000496248 0.152139395 -0.206210458 0.010187273 0.022589115 0.001912881 -0.006582243 0.009990850 -0.026118287 -0.002212880 0.016652791 -0.000082630 -0.021772935 0.001837542 -0.005112297 0.023492236 0.002948168 0.006524955 -0.000470856 0.002164445 -0.027883238 -0.000195747 0.000277845 0.001813515 0.000118982 0.000187433 -0.004958865 -0.001204820 0.000249959 -0.002815500 -0.000254164 0.005277952 0.007059824 -0.000718489 0.027770388 0.000259592 -0.000274590 -0.000520882 0.000293252 -0.002050942 0.000026404 -0.000073710 -0.000783009 0.000055530 0.000893797 0.000149450 -0.000287003 -0.000846345 0.000047706 -0.000244585 0.000606825 0.000012394 0.000050993 -0.000405656 -0.000041669 -0.000075067 0.000254146 0.000509918 -0.000033562 -0.000762030 0.000006066 0.001115010 -0.000602241 0.000068578 -0.001294076 -0.000399659 -0.000086079 0.000086062 0.000617811 0.000230678 0.693046365 -0.048746519 0.133835143 -0.004123409 0.002604980 0.810188435 0.007145442 0.000016469 -0.059432036 0.670807390 -0.000087441 0.003720320 -0.016074400 -0.042457025 0.133027134 0.000231437 0.000103830 -0.251191904 0.037861925 0.002780647 -0.006429826 0.000839962 0.034255495 -0.120506975 0.003717734 0.000696835 0.002208410 0.003153147 0.003581728 -0.062605294 -0.057307050 0.010129363 -0.002278222 0.000549989 0.000091152 -0.136482073 0.007804980 0.005083176 -0.005573712 0.000478182 0.007893391 -0.063163853 -0.000283474 0.000677102 0.002233534 0.001091740 0.000125572 -0.021260991 0.021907982 -0.027547185 0.000477034 -0.000095158 0.006322571 -0.004668385 0.004768769 -0.000232712 0.000067157 -0.002569034 -0.001913499 0.008670257 -0.000932622 0.000141627 -0.026071367 -0.031957885 0.003397510 0.000201185 0.000013244 0.008869476 0.009462450 -0.001234090 0.000047348 0.000542940 0.000033653 0.000052024 -0.001950042 0.001077358 -0.000279577 -0.019411744 0.026439010 0.025337253 0.000519661 0.000032418 0.006574720 -0.004924954 -0.003085680 0.000089465 0.000050324 0.003278917 0.002487907 0.007085821 0.025165837 -0.001433626 -0.001586788 0.000592196 0.000018062 0.012292493 -0.000833627 -0.000907189 0.000215358 0.000057310 -0.001984463 -0.001850722 0.000151981 -0.000013669 0.000541395 -0.028007668 -0.022432089 -0.000056617 -0.001155982 0.000282323 -0.011003642 -0.006563244 0.000034643 0.000339614 0.000073641 0.004166576 0.009060703 0.000098277 0.000190339 0.000020931 -0.023518819 0.028246816 -0.000083091 -0.001214008 -0.000091303 -0.009812508 0.010214092 0.000008277 0.000286312 -0.000116011 0.000495289 0.006316720 -0.000101502 -0.000170040 0.000083387 -0.010038985 0.000459933 -0.004544082 -0.001106918 0.000378720 -0.015831493 0.000457768 -0.003224989 0.000985285 0.000406264 0.001444445 -0.001978230 0.000537034 0.000331316 0.004705162 0.000058087 0.000300773 0.011582475 0.014910733 -0.001629230 0.001545871 0.000195597 -0.017710377 -0.017159785 0.001793589 0.000263662 0.004722096 0.001047045 0.000797069 -0.002030397 0.030761695 -0.002233024 0.006831320 -0.025330254 0.002107130 -0.023308381 0.001704491 -0.022407319 -0.032548761 0.003921944 0.001610775 0.006944025 0.001918483 0.004030054 0.006640668 -0.001346836 0.000032323 -0.001099741 0.000485393 0.000092443 0.002101681 -0.000343359 0.001988321 -0.004468060 0.000603558 -0.000316116 -0.002162734 -0.000055839 0.000625471 0.003519278 0.000194636 0.000108713 0.000643363 0.001094882 -0.000173522 -0.004790450 0.000729114 -0.000062918 0.002312916 -0.000367496 0.000679668 0.003511922 -0.000079166 -0.000397024 -0.002149319 0.526112642 0.027784599 0.628781276 -0.000543173 -0.004527023 0.584325861 -0.000722950 -0.000521977 0.000092946 0.538969758 0.000145115 0.001412722 -0.000055351 -0.043719185 0.616377452 0.000029796 -0.000041032 0.000790912 0.004927020 -0.001283113 -0.060438753 0.025976721 -0.050319001 0.000242556 0.000056276 0.028782465 -0.106671956 0.108544043 -0.000129403 -0.000035638 -0.054972003 0.109691378 -0.252179184 0.000030697 -0.000000011 -0.122482349 -0.117086958 0.012085335 -0.000044084 0.000521405 -0.130232776 -0.260386323 0.021643678 0.000125248 -0.000024476 0.013186550 0.021263083 -0.049911673 -0.000005753 -0.000011235 -0.054872053 0.025346500 0.034791759 0.000232900 0.000029469 0.028952261 -0.146308872 -0.128507246 -0.000138782 -0.000045850 0.038932140 -0.129465684 -0.218272478 -0.000028944 -0.000001563 0.000060336 -0.000500838 0.000040243 -0.170441919 0.134143853 -0.000106127 -0.000133631 0.000019027 0.147268797 -0.214112049 0.000004540 0.000029098 0.000029444 -0.009733606 0.011235850 0.000222960 0.000016071 0.000172036 -0.051016849 -0.018638521 0.000178966 -0.000018780 -0.000023549 -0.022189107 -0.156204107 0.000008371 0.000003279 -0.000016647 -0.027939828 -0.134291850 0.000211783 -0.000016324 -0.000189117 -0.048699925 -0.007699693 0.000174427 -0.000014235 0.000012935 -0.010522570 -0.111470601 -0.000052263 -0.000002163 -0.000007373 0.020497774 0.116507324 0.000445412 0.000851326 -0.000023635 0.001375131 -0.000522028 0.000110506 0.000637037 0.000107347 0.001870946 0.001016413 0.000039762 0.000088044 0.001985459 -0.000223734 -0.000211465 0.001569475 0.000603622 -0.000151171 0.000618863 -0.000846304 -0.001794509 0.000789329 -0.000141477 -0.000108541 0.000471454 0.000042939 -0.000233859 -0.001689554 0.000051625 0.000154414 0.001565450 -0.002118221 0.000126843 0.001365095 0.002949898 0.002399947 -0.002701496 0.000138353 -0.001608033 -0.002646293 -0.000262499 0.000273580 -0.000182281 0.000091127 0.000121365 0.000356436 -0.000347765 0.000016940 -0.002186105 0.001213028 0.001251923 -0.000120138 -0.000033268 -0.000338230 -0.000513130 -0.000103990 0.000010325 -0.000027761 0.000045673 -0.000033158 -0.001945681 -0.001380148 0.000164828 0.000493545 0.000459851 0.000190769 -0.000581988 -0.000001495 -0.001147476 -0.000257260 0.000038655 0.000045099 -0.000534617 0.000079236 0.000016679 0.584124429 0.000164976 0.074820862 0.000055283 -0.037797859 0.109822571 -0.000023051 0.060682299 -0.117880560 0.261190376 -0.000042388 0.005168815 0.007638754 0.000204664 0.141633364 0.000002436 -0.006145031 -0.008536598 -0.001751630 0.132069031 0.000033848 0.014774612 0.021172448 0.000569033 -0.014127825 -0.000185005 0.001980418 -0.004865512 -0.004979495 0.004218742 -0.000043036 -0.003168779 0.009535583 0.012401925 0.006216128 -0.000002186 0.004381007 -0.016694821 -0.017853231 -0.001486240 -0.008535515 -0.000015140 0.000020154 -0.000008612 -0.000162814 0.010859649 0.000011968 -0.000010284 -0.000005443 -0.000050724 -0.048481088 0.000001865 0.000000297 -0.000000661 0.000009396 -0.024050975 -0.000019875 0.000034440 -0.000016684 -0.000012022 -0.132337351 -0.000043633 0.000025325 -0.000001930 -0.000022793 -0.211981138 -0.000010041 -0.000004103 -0.000003749 -0.000006863 0.016105225 -0.000087742 0.000018257 0.000004050 -0.000012111 0.114779816 -0.000039224 0.000033506 -0.000013151 -0.000021251 -0.258995132 0.000005937 -0.000016068 0.000008594 0.000011268 -0.000060503 -0.000189592 0.000088444 0.000032089 0.000058557 -0.000289512 -0.000093314 0.000032717 -0.000013525 0.000049922 -0.001689445 0.000489612 -0.000080810 -0.000015189 -0.000008421 0.000105538 0.000022056 -0.000063721 0.000016098 -0.000262192 0.000127892 0.000090090 0.000147578 -0.000010196 0.000949711 0.001979685 -0.000067397 0.000162964 0.000095835 -0.000039535 -0.000306945 -0.000054140 -0.000014141 -0.000440011 -0.000105290 0.000273236 -0.000562818 0.000251758 0.000087677 0.000261122 -0.000183287 0.000123731 -0.000006031 -0.000537097 -0.000016715 -0.000059871 0.000031204 0.000145970 0.000187628 0.000052131 -0.000006691 -0.000100094 0.000104667 -0.000118498 -0.000211236 -0.000534006 0.000132912 0.000140751 -0.000036058 0.000017162 -0.000059530 0.000055081 -0.000189058 0.000575327 0.000436942 0.000050386 -0.000369696 -0.000311017 0.000023274 -0.000037449 -0.000031773 -0.000180351 -0.000282132 0.000223851 -0.000011529 0.270659243 -0.022914398 0.045352575 -0.008318570 -0.013708099 0.068334145 -0.011446499 -0.019541029 -0.038203316 0.152535621 0.004281762 0.004409901 -0.043495632 0.138949424 0.225082747 0.000019825 0.000002991 -0.000015352 0.000021388 0.000006780 0.000013575 -0.000000579 0.000012053 -0.000009388 0.000005682 -0.000002524 -0.000014545 -0.000000604 -0.000001139 -0.000001982 -0.000012295 0.000002231 -0.000087835 0.000018076 -0.000000338 -0.000016040 0.000001148 -0.000038693 0.000038947 0.000011692 0.000005785 -0.000001687 0.000006153 0.000009993 0.000004700 -0.000013556 -0.000000644 -0.000018397 0.000037408 0.000011722 -0.000016586 0.000001874 -0.000042118 0.000026000 0.000001258 -0.000002223 -0.000001315 0.000018223 -0.000003435 -0.000005713 -0.000052753 -0.000000695 -0.000220818 0.000087500 -0.000033891 -0.000026170 -0.000006619 -0.000169696 0.000047120 0.000013728 -0.000003218 -0.000083955 -0.000457763 0.000068281 0.000002454 0.000050282 0.000070052 0.000022358 -0.000079981 0.000001304 -0.000576049 0.000002759 0.000106783 0.000128846 -0.000002538 0.000069141 0.000153105 0.000058165 -0.000158561 0.000118326 0.000188103 -0.000014694 0.000045597 0.000072707 0.000379445 -0.000307366 0.000026128 -0.000561366 0.000242124 -0.000159541 0.000031363 0.000092262 -0.000087502 -0.000138865 -0.000519410 -0.000190135 0.000015943 -0.000000805 0.000101526 -0.000200442 0.000033412 0.000008947 -0.000112256 0.000099349 0.000103290 0.000008464 0.000072206 -0.000118232 -0.000163979 -0.000009727 -0.000521112 0.000023845 -0.000015109 -0.000279997 -0.000516212 -0.000083319 0.000003500 -0.000344967 -0.000252220 0.000076836 0.000027174 0.000021247 0.000253061 0.000401100 0.000200086 0.192613196 -0.147148700 0.221097439 0.008978452 -0.011833385 0.043780717 0.004640504 0.011412834 0.016684925 0.060953399 -0.004851735 -0.010762374 -0.016362426 0.033113337 0.166439009 0.000762878 0.003861535 0.003291202 0.030374093 0.143397407 0.003668907 0.008126878 -0.018512819 0.000847030 0.002565919 -0.003925855 -0.008180743 0.018772273 0.002098706 0.010629829 -0.000065892 -0.002247925 0.001665992 0.001389113 0.012513051 -0.000424039 0.000021125 -0.000003676 0.000024241 0.000051114 -0.000925736 -0.000031143 -0.000005790 -0.000117310 0.000116013 0.000012690 -0.000068466 0.000242569 -0.000022395 -0.000170075 0.000058413 0.000067238 -0.000008385 -0.000192623 -0.000123039 -0.000035881 -0.000023179 -0.000003953 0.000126888 0.000054401 0.000000964 -0.000004715 -0.000083315 0.000452919 0.000154717 -0.000024088 -0.000118627 0.000025615 0.000032940 -0.000293754 -0.000220856 -0.000384114 0.000034050 0.000405271 0.000391518 0.000019955 0.000042745 0.000092647 0.000052186 -0.000131289 0.000326422 0.000596302 -0.000053464 0.000004012 0.000223213 0.000093847 0.000010852 -0.000002309 0.000213898 -0.000003258 -0.000014385 -0.000016717 0.000028748 -0.000277729 0.000297837 -0.000013644 0.000181129 -0.000008820 0.000040643 -0.000138455 0.000199184 0.000102776 -0.000008722 0.000113152 0.000092696 -0.000015011 -0.000006563 0.000073846 0.000147141 -0.000142122 0.217892448 -0.002850104 0.058236948 -0.017758933 0.020065268 0.118091801 -0.017797875 -0.024893310 -0.126432349 0.269207428 0.000005478 0.000017370 0.000068932 -0.000009098 0.218960262 0.000005334 -0.000121162 0.000149464 -0.000004334 -0.165139116 0.000122709 0.000042273 0.000171553 0.000091323 0.007658932 0.000047329 -0.000216707 -0.000136521 -0.000012744 0.000575779 0.000009421 0.000050378 0.000025571 -0.000022535 -0.000409673 -0.000035065 -0.000453772 -0.000154500 0.000022055 -0.000090368 -0.000378598 0.000015861 -0.000143406 0.000348853 0.000530573 -0.000314727 0.000477087 0.000370912 0.000095521 -0.000064119 -0.000529977 -0.000193781 -0.000017287 -0.000557087 0.000011791 0.000524446 -0.000107007 0.000206597 -0.000554957 -0.000011406 0.000117534 0.000340985 -0.000128423 -0.000062287 0.000043256 0.000163783 0.000249823 -0.000275495 0.000284150 -0.000004506 0.000186788 0.000004475 -0.000147116 -0.000157377 0.000035998 0.000132195 0.000073337 0.000097261 -0.000153938 -0.000133709 -0.000033801 -0.000157350 0.000122340 -0.000014113 0.000010023 0.213505354 -0.010768006 0.020692013 0.000542069 -0.000168732 0.160971550 -0.000252893 -0.000251277 0.154735339 0.270003549 -0.000281364 -0.003461831 -0.016941039 -0.025125519 0.022647252 0.001021684 -0.000077322 0.000680844 -0.000894868 0.000074550 0.000011315 0.000062751 0.000187053 -0.000132237 0.000067168 0.000029259 0.000732468 -0.000013219 0.000097233 0.000728410 -0.000117320 0.000009119 0.000016364 -0.000014765 0.000001751 -0.000013859 -0.000002087 0.000199492 -0.000325888 0.000021066 0.000000908 -0.000032442 -0.000017178 0.000026161 -0.000010178 0.000080261 -0.000008056 -0.000024346 0.000114949 -0.000009668 -0.000350073 0.000031763 -0.000043707 -0.000001669 -0.000001134 0.000026198 -0.000009283 0.000003604 -0.000005993 -0.000031763 0.420122485 -0.002944766 0.441163527 -0.010090281 -0.031033950 0.063492420 -0.157959088 -0.087819740 0.011213846 0.166687729 -0.081137745 -0.092984092 0.008436319 0.092010305 0.096862075 0.010690222 0.008609235 -0.018359095 -0.012029421 -0.009720343 -0.185784906 0.072214212 -0.000995658 -0.009765209 0.006565973 0.065684419 -0.066087099 0.002106079 -0.009465360 0.006832688 -0.000463089 0.001883034 -0.017747250 0.001158388 -0.000445909 0.010603814 -0.000168303 0.196947868 0.000009750 -0.075259149 0.067697433 0.003659510 0.000694375 -0.002601680 0.009948745</array>
               <array cmlx:templateRef="normal-mode-eigvals"
                      dataType="xsd:double"
                      dictRef="cc:eigenval"
                      size="48">0.000520012 0.000642465 0.000807384 0.002130561 0.002148281 0.003493158 0.003674423 0.006433915 0.008445253 0.013054732 0.014111961 0.015412253 0.019337889 0.020301310 0.020829165 0.020965972 0.026922278 0.028166505 0.041312549 0.042683272 0.045788980 0.048236255 0.049578203 0.049715355 0.051469339 0.060750075 0.062685907 0.073003930 0.074500269 0.078917363 0.079198665 0.079704225 0.080038877 0.081043433 0.083882436 0.086732302 0.088177657 0.101919572 0.242841171 0.256327469 0.354533457 0.354756984 0.376296859 0.376424145 0.386693338 0.386738984 0.410646915 0.415598468</array>
            </module>
         </module>
      </module>
   </module>
</module>
