<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:g="http://www.iochem-bd.org/dictionary/gaussian/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:compchem="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        convention="convention:compchem"
        id="gaussian.log">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 09</scalar>
               </parameter>
               <parameter dictRef="cc:hostname">
                  <scalar dataType="xsd:string">GINC-ARGUS37</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">TLPGALVAO</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Title Card Required</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">ES64L-G09RevD.01</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RM062X</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">6-31++G(d,p)</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">FOpt</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">opt</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">freq</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">6-31++g(d,p)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">scrf=(solvent=water)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">maxdisk=200GB</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">geom=connectivity</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">m062x</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="entering" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:link0">g09</scalar>
                  <array dataType="xsd:string" dictRef="g:command" size="3">/opt/ciceco/g09d01_prebuilt/g09/l1.exe "/scratch_p/tlpgalvao/scratch_gaussian/i24_1/Gau-104760.inp" -scrdir="/scratch_p/tlpgalvao/scratch_gaussian/i24_1/"</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l601.popanal">
                  <array dataType="xsd:double" dictRef="g:alphaocc" size="44">-14.84689 -14.84684 -14.79470 -14.79468 -14.77731 -14.77729 -14.76497 -14.76495 -10.64465 -10.64462 -10.62888 -10.62885 -1.20690 -1.20370 -1.04575 -1.04395 -0.99988 -0.99579 -0.92026 -0.91593 -0.74366 -0.73550 -0.69395 -0.69334 -0.66455 -0.64513 -0.59048 -0.58655 -0.56164 -0.55863 -0.54186 -0.53946 -0.50422 -0.50351 -0.43766 -0.42210 -0.42187 -0.41174 -0.37426 -0.36340 -0.36184 -0.35796 -0.29326 -0.28977</array>
                  <array dataType="xsd:double" dictRef="g:alphavirt" size="232">-0.00172 0.00543 0.01330 0.02189 0.03013 0.03068 0.03328 0.04254 0.04334 0.05197 0.06078 0.06118 0.06843 0.07749 0.07968 0.09198 0.09430 0.09893 0.11071 0.11096 0.11407 0.12182 0.12427 0.13776 0.13875 0.14289 0.14860 0.15185 0.15503 0.17267 0.17583 0.18136 0.18654 0.18916 0.19648 0.19828 0.20520 0.20895 0.21475 0.21873 0.22193 0.22857 0.24143 0.24146 0.24630 0.24727 0.25240 0.25815 0.26493 0.27221 0.27365 0.28167 0.28853 0.30535 0.31196 0.31852 0.32543 0.33112 0.33243 0.33587 0.34697 0.35433 0.35665 0.36473 0.37209 0.37653 0.38525 0.39336 0.39767 0.41264 0.43782 0.44348 0.48342 0.48987 0.52566 0.52809 0.53945 0.55527 0.56213 0.56245 0.71555 0.72495 0.77244 0.79043 0.81660 0.82449 0.85509 0.85867 0.85883 0.87175 0.87803 0.92922 0.94572 0.95470 0.96098 0.96506 0.97166 0.97213 0.97710 0.98982 0.99224 0.99806 1.01133 1.02827 1.03207 1.04090 1.05897 1.06397 1.06542 1.07181 1.07963 1.09214 1.13486 1.13594 1.16132 1.18853 1.20363 1.21601 1.23907 1.24391 1.27346 1.28173 1.30664 1.30965 1.31383 1.34858 1.35308 1.39099 1.40083 1.40301 1.40435 1.40955 1.43833 1.45222 1.46044 1.48119 1.49303 1.52756 1.55700 1.56019 1.56940 1.59266 1.61900 1.62602 1.66743 1.69088 1.72117 1.76108 1.86722 1.88277 1.93069 1.94213 1.96812 1.97018 1.98362 2.00856 2.06844 2.08192 2.10913 2.12264 2.13063 2.13117 2.17711 2.18350 2.19590 2.20534 2.23126 2.24619 2.26310 2.26606 2.28282 2.30358 2.33308 2.34783 2.39501 2.40936 2.42958 2.45537 2.48844 2.48867 2.51780 2.52744 2.53449 2.54800 2.58129 2.59425 2.59852 2.64149 2.64240 2.66716 2.66792 2.67462 2.70659 2.74084 2.76389 2.76469 2.78206 2.79332 2.82225 2.83511 2.89634 2.90325 2.95789 2.97165 2.98318 2.99331 3.08308 3.10910 3.17211 3.21142 3.24646 3.26196 3.37363 3.39090 3.40395 3.41044 3.51459 3.51656 3.79010 3.80704 4.14211 4.22001 4.25279 4.26059 4.37983 4.38088 4.41260 4.46195 4.59847 4.60835 4.66524 4.68213</array>
                  <module cmlx:templateRef="l601.state">
                     <scalar dataType="xsd:string" dictRef="g:l601.state">1-A.</scalar>
                  </module>
                  <list cmlx:templateRef="multipole" dictRef="cc:multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">0.0036 0.0047 0.0011</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">0.0060</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-85.1047 -50.3243 -75.0515</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">10.5354 -11.6225 -5.4532</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-14.9445 19.8359 -4.8913 10.5354 -11.6225 -5.4532</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-0.1169 0.0602 0.0034 0.1273 0.0294 0.2073 -0.0451 -0.0267 -0.0145 0.0590</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-3377.5581 -477.2925 -80.9447 364.2291 -206.4307 8.9259 -24.7758 -11.4799 -5.6401 -545.6529 -591.2694 -133.5209 -85.1662 -43.5798 0.1666</array>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT21935.100S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2018-09-13T20:00:21.000+02:00</scalar>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="20">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="20">C C N H H N N N H H C C N H H N N N H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="20">0.084717 0.139172 -0.422562 0.458482 0.222823 -0.215391 -0.443174 -0.530968 0.347463 0.359461 0.084890 0.138960 -0.422869 0.458325 0.222847 -0.215514 -0.443159 -0.530519 0.359594 0.347423</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="44">-14.86000 -14.85690 -14.81242 -14.81027 -14.77325 -14.77189 -14.76935 -14.76872 -10.64486 -10.64299 -10.63444 -10.63271 -1.22015 -1.21587 -1.04320 -1.03887 -1.00371 -1.00098 -0.92727 -0.92443 -0.75260 -0.73274 -0.70036 -0.69347 -0.67100 -0.65046 -0.59215 -0.59068 -0.55472 -0.54656 -0.54064 -0.53707 -0.53094 -0.52981 -0.43910 -0.42099 -0.37891 -0.37721 -0.37134 -0.37080 -0.35333 -0.35219 -0.33983 -0.33664</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="232">-0.00176 0.00563 0.01461 0.01893 0.02265 0.02592 0.03635 0.03716 0.04013 0.04864 0.05344 0.05863 0.06154 0.06808 0.07880 0.08429 0.09473 0.09609 0.09926 0.10574 0.11135 0.11596 0.12074 0.13177 0.14131 0.14394 0.14456 0.14598 0.15544 0.16166 0.16325 0.17280 0.19160 0.19588 0.20292 0.20423 0.20661 0.21173 0.21702 0.21906 0.22476 0.22620 0.22727 0.24157 0.24889 0.25153 0.25577 0.26080 0.27341 0.27642 0.27844 0.29056 0.29776 0.30153 0.30330 0.30598 0.30867 0.31981 0.33039 0.33589 0.33782 0.33905 0.34549 0.35174 0.36129 0.36812 0.38478 0.38671 0.41688 0.42213 0.43218 0.44616 0.45999 0.49920 0.51908 0.52458 0.53700 0.54772 0.56818 0.57399 0.72579 0.73197 0.76645 0.77852 0.81293 0.82120 0.83710 0.86492 0.87580 0.89014 0.89327 0.94168 0.94695 0.95775 0.96592 0.96835 0.97199 0.97736 0.97834 0.99329 0.99749 0.99911 1.01683 1.02101 1.03485 1.04650 1.05352 1.06592 1.06855 1.07276 1.07492 1.07807 1.09644 1.10990 1.13546 1.14746 1.19177 1.19749 1.22568 1.23041 1.26463 1.27614 1.29098 1.30867 1.31494 1.31764 1.33581 1.35202 1.39100 1.39291 1.39845 1.40496 1.41658 1.43770 1.45314 1.45593 1.49343 1.49611 1.53582 1.54814 1.56521 1.58225 1.62122 1.62645 1.66788 1.70122 1.72078 1.75515 1.84887 1.85341 1.89022 1.90197 1.93300 1.94561 1.97893 1.98297 2.05668 2.08517 2.10029 2.12154 2.12362 2.12757 2.16879 2.17361 2.20270 2.20384 2.25882 2.26534 2.26780 2.27036 2.27657 2.27747 2.33427 2.34885 2.39912 2.40548 2.43541 2.43727 2.46991 2.48144 2.50477 2.51221 2.51877 2.54815 2.56515 2.61604 2.61715 2.62298 2.64159 2.64775 2.64976 2.70411 2.73968 2.74654 2.75398 2.76467 2.77852 2.81570 2.85038 2.85280 2.85537 2.87957 2.90655 2.93402 2.98297 2.99074 3.07153 3.08673 3.16635 3.18742 3.21620 3.25583 3.37939 3.38292 3.39826 3.40671 3.46587 3.46751 3.77216 3.78565 4.14397 4.16729 4.21426 4.24345 4.37019 4.38194 4.40115 4.45212 4.56349 4.59914 4.64371 4.65979</array>
                     <module cmlx:templateRef="l601.state">
                        <scalar dataType="xsd:string" dictRef="g:l601.state">1-A.</scalar>
                     </module>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="20">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="20">C C N H H N N N H H C C N H H N N N H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="20">-0.032700 0.154304 -0.421377 0.432272 0.227641 -0.120718 -0.368300 -0.601739 0.360903 0.362258 -0.036434 0.151307 -0.434192 0.422674 0.230323 -0.087239 -0.369976 -0.593885 0.363564 0.361314</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">0.3377 -0.0971 -0.1626</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">0.3872</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-69.3532 -68.0864 -68.5210</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">3.5344 0.1740 1.0485</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-0.6997 0.5671 0.1325 3.5344 0.1740 1.0485</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-3.2465 -1.4773 0.8564 5.1302 1.3246 1.0617 -0.0544 0.2221 -1.3738 0.8860</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-3105.6064 -562.4407 -77.7992 447.0631 -9.4280 -108.8614 2.0232 1.6054 1.8860 -721.3214 -520.3573 -114.8156 10.0006 3.4759 34.5209</array>
                  </list>
               </property>
               <property dictRef="cc:virtualorbs">
                  <array dataType="xsd:string" delimiter="|" size="232">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
               </property>
               <property dictRef="cc:virtualorbs">
                  <array dataType="xsd:string" delimiter="|" size="232">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
               </property>
               <property dictRef="cc:occupiedorbs">
                  <array dataType="xsd:string" delimiter="|" size="44">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
               </property>
               <property dictRef="cc:occupiedorbs">
                  <array dataType="xsd:string" delimiter="|" size="44">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:electronicstate">1-A</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:hfenergy" units="nonsi:hartree">-595.0695586</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">3.084E-9</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">1.186E-5</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Quadrupole">12.7464407,-8.460161,-4.2862797,-10.5439111,-8.4208246,-4.6094896</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C4H8N8)]</scalar>
                  <array dataType="xsd:double"
                         dictRef="cc:dipole"
                         size="3"
                         units="nonsi:debye">-0.0022919 0.0000616 -0.0004894</array>
                  <array dataType="xsd:double" dictRef="cc:forceConstants" size="1">@</array>
               </module>
            </module>
            <molecule formalCharge="0" id="mol9999" spinMultiplicity="1">
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="0.42330286"
                        y3="-0.036066"
                        z3="0.1773992"/>
                  <atom elementType="C"
                        id="a2"
                        x3="-1.47474678"
                        y3="0.86146467"
                        z3="0.13903737"/>
                  <atom elementType="N"
                        id="a3"
                        x3="-1.62538468"
                        y3="-0.46107376"
                        z3="0.10901589"/>
                  <atom elementType="H"
                        id="a4"
                        x3="-2.45997093"
                        y3="-1.04610544"
                        z3="0.0674005"/>
                  <atom elementType="H"
                        id="a5"
                        x3="-2.30462531"
                        y3="1.55304671"
                        z3="0.12564972"/>
                  <atom elementType="N"
                        id="a6"
                        x3="-0.40801315"
                        y3="-1.06751246"
                        z3="0.13047236"/>
                  <atom elementType="N"
                        id="a7"
                        x3="-0.18714321"
                        y3="1.17964218"
                        z3="0.18520441"/>
                  <atom elementType="N"
                        id="a8"
                        x3="1.79339973"
                        y3="-0.17445058"
                        z3="0.28070176"/>
                  <atom elementType="H"
                        id="a9"
                        x3="2.14388742"
                        y3="-1.05628019"
                        z3="-0.07075106"/>
                  <atom elementType="H"
                        id="a10"
                        x3="2.3011232"
                        y3="0.61415465"
                        z3="-0.09892346"/>
                  <atom elementType="C"
                        id="a11"
                        x3="-3.713759"
                        y3="-4.10437653"
                        z3="-0.05012369"/>
                  <atom elementType="C"
                        id="a12"
                        x3="-1.8166379"
                        y3="-5.00355669"
                        z3="-0.00480742"/>
                  <atom elementType="N"
                        id="a13"
                        x3="-1.66472374"
                        y3="-3.6810157"
                        z3="0.01872548"/>
                  <atom elementType="H"
                        id="a14"
                        x3="-0.82948668"
                        y3="-3.09687606"
                        z3="0.05865772"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-0.98745108"
                        y3="-5.69587056"
                        z3="0.01313166"/>
                  <atom elementType="N"
                        id="a16"
                        x3="-2.8814796"
                        y3="-3.07350895"
                        z3="-0.00741162"/>
                  <atom elementType="N"
                        id="a17"
                        x3="-3.10444921"
                        y3="-5.3207275"
                        z3="-0.05098305"/>
                  <atom elementType="N"
                        id="a18"
                        x3="-5.08348158"
                        y3="-3.96513648"
                        z3="-0.15573163"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-5.59265823"
                        y3="-4.75200716"
                        z3="0.22545596"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-5.43391215"
                        y3="-3.08161237"
                        z3="0.19142073"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a8" order="S"/>
                  <bond atomRefs2="a1 a7" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a11 a18" order="S"/>
                  <bond atomRefs2="a11 a17" order="S"/>
                  <bond atomRefs2="a11 a16" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a17" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
               </bondArray>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">160.0964</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/2C2H4N4/c2*3-2-4-1-5-6-2/h2*1,5H,3H2">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:2,1,8,7,3,6;12,11,18,17,13,16/CRV:2*1.3,2.3,4.2,6.2/rA:20C3C3NHHN2N2NHHC3C3NHHN2N2NHH/rB:;s2;s3;s2;s1s3;s1s2;s1;s8;s8;;;s12;s13;s12;s11s13;s11s12;s11;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 09</scalar>
               </parameter>
               <parameter dictRef="cc:hostname">
                  <scalar dataType="xsd:string">GINC-ARGUS37</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">TLPGALVAO</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Title Card Required</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">ES64L-G09RevD.01</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RM062X</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">6-31++G(d,p)</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">Freq</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#N</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Geom=AllCheck</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Guess=TCheck</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">SCRF=Check</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">GenChk</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">RM062X/6-31++G(d,p)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Freq</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="link1a" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="link1">
                     <scalar dataType="xsd:integer" dictRef="g:link1">2</scalar>
                  </list>
                  <scalar dataType="xsd:string" dictRef="cc:keywords">eq</scalar>
                  <module cmlx:templateRef="l1.keywords">
                     <scalar dataType="xsd:string" dictRef="cc:keyword">#N</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:keyword">Geom=AllCheck</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:keyword">Guess=TCheck</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:keyword">SCRF=Check</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:keyword">GenChk</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:keyword">RM062X/6-31++G(d,p)</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:keyword">Fr</scalar>
                  </module>
                  <module cmlx:templateRef="l1.control">
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">1/10=4,29=7,30=1,38=1,40=1/1,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/12=2,40=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=1,6=6,7=1111,11=2,14=-4,16=1,25=1,30=1,70=2,71=2,72=1,74=-55,116=1,140=1/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4/5=101/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,53=1,98=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">8/6=4,10=90,11=11/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">11/6=1,8=1,9=11,15=111,16=1/1,2,10</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">10/6=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,18=1,28=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">7/8=1,10=1,25=1/1,2,3,16</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">1/10=4,30=1/3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99//99</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="l101.title">
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">Title Card Required</scalar>
                  </module>
                  <module cmlx:templateRef="l101.redundantcoords">
                     <scalar cmlx:templateRef="redundant"
                             dataType="xsd:string"
                             dictRef="g:redundant">Redundant internal coordinates found in file.</scalar>
                  </module>
                  <list cmlx:templateRef="link1a">
                     <scalar dataType="xsd:string" dictRef="g:link1a">Structure from the checkpoint file:  "/scratch_p/tlpgalvao/scratch_gaussian/i24_1/Gau-104761.chk"</scalar>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT2762.300S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2018-09-13T20:02:21.000+02:00</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="44">-14.84689 -14.84684 -14.79470 -14.79468 -14.77731 -14.77729 -14.76497 -14.76495 -10.64465 -10.64462 -10.62888 -10.62885 -1.20690 -1.20370 -1.04575 -1.04395 -0.99988 -0.99579 -0.92026 -0.91593 -0.74366 -0.73550 -0.69395 -0.69334 -0.66455 -0.64513 -0.59048 -0.58655 -0.56164 -0.55863 -0.54186 -0.53946 -0.50422 -0.50351 -0.43766 -0.42210 -0.42187 -0.41174 -0.37426 -0.36340 -0.36184 -0.35796 -0.29326 -0.28977</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="232">-0.00172 0.00543 0.01330 0.02189 0.03013 0.03068 0.03328 0.04254 0.04334 0.05197 0.06078 0.06118 0.06843 0.07749 0.07968 0.09198 0.09430 0.09893 0.11071 0.11096 0.11407 0.12182 0.12427 0.13776 0.13875 0.14289 0.14860 0.15185 0.15503 0.17267 0.17583 0.18136 0.18654 0.18916 0.19648 0.19828 0.20520 0.20895 0.21475 0.21873 0.22193 0.22857 0.24143 0.24146 0.24630 0.24727 0.25240 0.25815 0.26493 0.27221 0.27365 0.28167 0.28853 0.30535 0.31196 0.31852 0.32543 0.33112 0.33243 0.33587 0.34697 0.35433 0.35665 0.36473 0.37209 0.37653 0.38525 0.39336 0.39767 0.41264 0.43782 0.44348 0.48342 0.48987 0.52566 0.52809 0.53945 0.55527 0.56213 0.56245 0.71555 0.72495 0.77244 0.79043 0.81660 0.82449 0.85509 0.85867 0.85883 0.87175 0.87803 0.92922 0.94572 0.95470 0.96098 0.96506 0.97166 0.97213 0.97710 0.98982 0.99224 0.99806 1.01133 1.02827 1.03207 1.04090 1.05897 1.06397 1.06542 1.07181 1.07963 1.09214 1.13486 1.13594 1.16132 1.18853 1.20363 1.21601 1.23907 1.24391 1.27346 1.28173 1.30664 1.30965 1.31383 1.34858 1.35308 1.39099 1.40083 1.40301 1.40435 1.40955 1.43833 1.45222 1.46044 1.48119 1.49303 1.52756 1.55700 1.56019 1.56940 1.59266 1.61900 1.62602 1.66743 1.69088 1.72117 1.76108 1.86722 1.88277 1.93069 1.94213 1.96812 1.97018 1.98362 2.00856 2.06844 2.08192 2.10913 2.12264 2.13063 2.13117 2.17711 2.18350 2.19590 2.20534 2.23126 2.24619 2.26310 2.26606 2.28282 2.30358 2.33308 2.34783 2.39501 2.40936 2.42958 2.45537 2.48844 2.48867 2.51780 2.52744 2.53449 2.54800 2.58129 2.59425 2.59852 2.64149 2.64240 2.66716 2.66792 2.67462 2.70659 2.74084 2.76389 2.76469 2.78206 2.79332 2.82225 2.83511 2.89634 2.90325 2.95789 2.97165 2.98318 2.99331 3.08308 3.10910 3.17211 3.21142 3.24646 3.26196 3.37363 3.39090 3.40395 3.41044 3.51459 3.51656 3.79010 3.80704 4.14211 4.22001 4.25279 4.26059 4.37983 4.38088 4.41260 4.46195 4.59847 4.60835 4.66524 4.68213</array>
                     <module cmlx:templateRef="l601.state">
                        <scalar dataType="xsd:string" dictRef="g:l601.state">1-A.</scalar>
                     </module>
                     <module cmlx:templateRef="mulliken">
                        <module cmlx:templateRef="l601.mullik">
                           <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                           <list cmlx:templateRef="row">
                              <array dataType="xsd:integer" dictRef="cc:serial" size="20">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
                              <array dataType="xsd:string" dictRef="cc:elementType" size="20">C C N H H N N N H H C C N H H N N N H H</array>
                              <array dataType="xsd:double" dictRef="x:charge" size="20">0.084717 0.139172 -0.422562 0.458482 0.222823 -0.215390 -0.443175 -0.530968 0.347463 0.359461 0.084890 0.138960 -0.422869 0.458325 0.222847 -0.215514 -0.443160 -0.530519 0.359594 0.347423</array>
                           </list>
                           <scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
                        </module>
                     </module>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges with hydrogens summed into heavy atoms:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="12">1 2 3 6 7 8 11 12 13 16 17 18</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="12">C C N N N N C C N N N N</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="12">0.084717 0.361995 0.035920 -0.215390 -0.443175 0.175956 0.084890 0.361807 0.035456 -0.215514 -0.443160 0.176498</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.polariz">
                     <array dataType="xsd:double" dictRef="g:l601.pol.exact" size="6">157.817 6.491 148.858 0.806 1.527 82.175</array>
                     <array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">146.450 3.825 138.482 0.462 1.135 79.385</array>
                  </module>
               </property>
               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">0.0036 0.0047 0.0011</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">0.0060</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-85.1048 -50.3243 -75.0515</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">10.5354 -11.6225 -5.4532</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-14.9446 19.8359 -4.8913 10.5354 -11.6225 -5.4532</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-0.1169 0.0602 0.0034 0.1273 0.0294 0.2073 -0.0451 -0.0267 -0.0145 0.0590</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-3377.5583 -477.2925 -80.9447 364.2291 -206.4307 8.9259 -24.7758 -11.4799 -5.6401 -545.6529 -591.2694 -133.5209 -85.1662 -43.5798 0.1666</array>
                  </list>
               </property>
               <property dictRef="cc:virtualorbs">
                  <array dataType="xsd:string" delimiter="|" size="232">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
               </property>
               <property dictRef="cc:occupiedorbs">
                  <array dataType="xsd:string" delimiter="|" size="44">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:electronicstate">1-A</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:hfenergy" units="nonsi:hartree">-595.0695586</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">1.87E-9</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">1.186E-5</scalar>
                  <scalar dataType="xsd:string" dictRef="x:ZeroPoint">0.157279</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Thermal">0.1684771</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C4H8N8)]</scalar>
                  <array dataType="xsd:double"
                         dictRef="cc:dipole"
                         size="3"
                         units="nonsi:debye">-0.0022919 0.0000614 -0.0004893</array>
                  <array dataType="xsd:double"
                         dictRef="cc:dipolederiv"
                         size="180"
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