<?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:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:g="http://www.iochem-bd.org/dictionary/gaussian/"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:compchem="http://www.xml-cml.org/dictionary/compchem/"
        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>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RwB97XD</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">GenECP</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">SP</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">sp</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">wb97xd/genecp</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">scrf=(smd,solvent=dichloroethane)</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">/mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-15759.inp" -scrdir="/scratch/"</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT43471.900S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:string">Sun Mar  8 14:02:57 2020</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="120">-101.76625 -66.25094 -19.33741 -19.32651 -14.71450 -10.40412 -10.37686 -10.36701 -10.35286 -10.34777 -10.34768 -10.34678 -10.34607 -10.34457 -10.32413 -10.32337 -10.32026 -10.31617 -10.29278 -10.28133 -10.27868 -10.27731 -10.27456 -10.27365 -10.27286 -10.27196 -10.27125 -10.26941 -9.63486 -7.38477 -7.37397 -7.37335 -5.38510 -3.73118 -3.72801 -3.72791 -3.28785 -2.10606 -2.07481 -2.07222 -1.38272 -1.20266 -1.04059 -1.02714 -1.00971 -0.94135 -0.91019 -0.89976 -0.88447 -0.87880 -0.87660 -0.86518 -0.85523 -0.83700 -0.79873 -0.78484 -0.78034 -0.77724 -0.73773 -0.72785 -0.71245 -0.68437 -0.67949 -0.67806 -0.67317 -0.67201 -0.66810 -0.66400 -0.65122 -0.64248 -0.60077 -0.59806 -0.59013 -0.56403 -0.55433 -0.54986 -0.54579 -0.53717 -0.53425 -0.53307 -0.52794 -0.52542 -0.51947 -0.51725 -0.51462 -0.50732 -0.50674 -0.50571 -0.50080 -0.49236 -0.48904 -0.48383 -0.48241 -0.47623 -0.47189 -0.47036 -0.46490 -0.46425 -0.45912 -0.45802 -0.45369 -0.43640 -0.43392 -0.43030 -0.42785 -0.42566 -0.42297 -0.41920 -0.41519 -0.41133 -0.41103 -0.39894 -0.39408 -0.39049 -0.36844 -0.35871 -0.35251 -0.34761 -0.34037 -0.31783</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="773">-0.06889 -0.03693 -0.03208 0.00596 0.03197 0.03374 0.04033 0.04174 0.04256 0.04686 0.05205 0.05275 0.05643 0.05878 0.06068 0.06668 0.06704 0.06953 0.07341 0.07547 0.07668 0.08068 0.08367 0.08458 0.08484 0.08906 0.09263 0.09357 0.09895 0.09950 0.10308 0.10794 0.10855 0.11229 0.11252 0.11592 0.11940 0.12269 0.12489 0.12689 0.12735 0.13388 0.13489 0.13607 0.13866 0.14170 0.14399 0.14465 0.14832 0.15060 0.15525 0.15636 0.15703 0.16154 0.16301 0.16575 0.16625 0.16973 0.17025 0.17164 0.17410 0.17682 0.17804 0.17836 0.18008 0.18357 0.18433 0.18661 0.18741 0.18909 0.19275 0.19402 0.19532 0.19799 0.19848 0.20003 0.20153 0.20214 0.20314 0.20610 0.20733 0.20968 0.21176 0.21487 0.21533 0.21706 0.21820 0.21955 0.22149 0.22198 0.22388 0.22614 0.22839 0.22951 0.23212 0.23223 0.23445 0.23639 0.23927 0.23940 0.24229 0.24345 0.24454 0.24822 0.25094 0.25453 0.25578 0.25720 0.25836 0.26002 0.26257 0.26422 0.26766 0.27063 0.27243 0.27305 0.27459 0.27620 0.27767 0.27990 0.28292 0.28427 0.28659 0.28821 0.28976 0.29264 0.29696 0.29898 0.30009 0.30160 0.30309 0.30465 0.30587 0.30710 0.31354 0.31488 0.31729 0.31748 0.31892 0.32083 0.32251 0.32524 0.32870 0.33123 0.33274 0.33719 0.33762 0.33949 0.34138 0.34276 0.34669 0.34890 0.35206 0.35642 0.35775 0.36248 0.36475 0.36560 0.36841 0.36909 0.37082 0.37604 0.37741 0.38070 0.38185 0.38416 0.38601 0.38822 0.39029 0.39452 0.39580 0.39970 0.40136 0.40415 0.40734 0.41054 0.41373 0.41628 0.41765 0.42054 0.42661 0.42917 0.43128 0.43508 0.43849 0.44021 0.44323 0.44448 0.44774 0.45200 0.45363 0.45730 0.46273 0.46533 0.46813 0.47101 0.47513 0.47881 0.48059 0.48762 0.49019 0.49322 0.49962 0.50423 0.50695 0.51564 0.51728 0.52041 0.52563 0.52754 0.53115 0.53890 0.54047 0.54652 0.55558 0.56090 0.56827 0.57244 0.58018 0.58209 0.58595 0.59231 0.59452 0.60366 0.60890 0.61428 0.62178 0.62585 0.62837 0.63362 0.63473 0.63974 0.64494 0.64830 0.65205 0.65775 0.66487 0.66886 0.67342 0.67548 0.68006 0.68163 0.68742 0.69058 0.69209 0.69469 0.70103 0.70267 0.70557 0.70777 0.71420 0.71541 0.71993 0.72703 0.72806 0.73183 0.73732 0.74264 0.74665 0.74934 0.75197 0.75393 0.75592 0.75969 0.76387 0.76642 0.77042 0.77640 0.77764 0.78167 0.78594 0.78898 0.79268 0.79545 0.79598 0.80426 0.80718 0.80933 0.81361 0.81825 0.82209 0.82743 0.83057 0.83298 0.83412 0.83936 0.84121 0.84333 0.84711 0.84981 0.85494 0.85714 0.86239 0.86353 0.86526 0.86918 0.87555 0.87874 0.88031 0.88629 0.89309 0.89512 0.89837 0.90041 0.90405 0.90647 0.91525 0.91889 0.92567 0.92644 0.93181 0.93410 0.93990 0.94353 0.94554 0.94886 0.95624 0.95970 0.96337 0.96993 0.97380 0.98098 0.98714 0.98964 0.99402 0.99826 1.00020 1.00748 1.01140 1.01188 1.01836 1.03172 1.03543 1.03940 1.04379 1.04824 1.06018 1.06427 1.06976 1.07860 1.08785 1.08801 1.09435 1.09637 1.10640 1.11539 1.11965 1.12321 1.12560 1.12968 1.13617 1.13996 1.14881 1.15029 1.15547 1.16406 1.16825 1.17453 1.18139 1.19335 1.19792 1.20630 1.21785 1.22327 1.22511 1.23215 1.23900 1.24045 1.24917 1.25396 1.25938 1.27235 1.27748 1.29383 1.30730 1.31186 1.31649 1.33338 1.33960 1.34168 1.36410 1.37784 1.38250 1.38848 1.39128 1.39632 1.40680 1.41942 1.43226 1.44284 1.44909 1.46002 1.46864 1.47253 1.48715 1.49709 1.50123 1.51700 1.52510 1.53462 1.53891 1.54091 1.54938 1.56068 1.56555 1.56829 1.57872 1.58454 1.58899 1.59547 1.60075 1.60715 1.60876 1.61363 1.61684 1.62226 1.62673 1.62871 1.63299 1.64181 1.64364 1.65064 1.65665 1.66048 1.66796 1.67282 1.67861 1.68249 1.68632 1.69313 1.69663 1.70273 1.70380 1.70983 1.71442 1.71712 1.72178 1.73304 1.73343 1.73665 1.74089 1.74647 1.75089 1.75529 1.75802 1.76385 1.76750 1.77182 1.77504 1.78516 1.78945 1.79396 1.79691 1.80008 1.80660 1.81083 1.81397 1.82027 1.82149 1.82808 1.83403 1.84394 1.84649 1.85164 1.85688 1.86066 1.87165 1.87243 1.88962 1.89626 1.90196 1.90728 1.91534 1.91747 1.92898 1.93267 1.93543 1.94025 1.94258 1.95036 1.95478 1.96016 1.96197 1.97038 1.97476 1.97913 1.98439 1.98951 1.99404 2.00043 2.00439 2.01898 2.02374 2.02731 2.03519 2.04140 2.05209 2.06808 2.07692 2.07834 2.08630 2.09278 2.09819 2.11073 2.11492 2.11642 2.12619 2.12882 2.13783 2.14453 2.15504 2.16649 2.17762 2.18979 2.19067 2.19649 2.19943 2.20030 2.21300 2.22181 2.22342 2.23045 2.23286 2.23974 2.24721 2.25874 2.26936 2.27006 2.28465 2.29518 2.30066 2.30580 2.30822 2.31398 2.33709 2.35194 2.37743 2.39438 2.40179 2.40650 2.41033 2.41659 2.42390 2.43228 2.43556 2.44610 2.45058 2.45514 2.46157 2.46658 2.47347 2.48358 2.48911 2.48956 2.49485 2.51109 2.51451 2.52140 2.52555 2.53176 2.53920 2.54053 2.54728 2.55860 2.56787 2.57756 2.57975 2.58672 2.60289 2.60777 2.61414 2.61885 2.62570 2.62913 2.63433 2.63977 2.64016 2.64749 2.65275 2.65375 2.66239 2.66494 2.67547 2.67650 2.67754 2.68204 2.68549 2.69089 2.69696 2.70035 2.70885 2.71340 2.71769 2.73534 2.76156 2.76236 2.76364 2.76902 2.77666 2.78079 2.78680 2.79032 2.79340 2.79882 2.80184 2.80789 2.81593 2.81961 2.82311 2.82668 2.83320 2.84769 2.85021 2.85512 2.85883 2.86479 2.87242 2.88125 2.88725 2.88781 2.89332 2.90220 2.91588 2.91815 2.93587 2.93969 2.94467 2.95332 2.95489 2.96088 2.97358 2.97734 2.98595 2.99784 3.00244 3.01808 3.02533 3.04027 3.05005 3.06294 3.07485 3.08707 3.09481 3.10651 3.11031 3.11579 3.12265 3.12661 3.13599 3.14713 3.15823 3.16303 3.18516 3.19607 3.20174 3.21790 3.23027 3.24678 3.26514 3.27167 3.28150 3.28825 3.30692 3.31378 3.33277 3.34142 3.35762 3.36348 3.37183 3.38608 3.38845 3.39432 3.40057 3.41099 3.41678 3.43278 3.45249 3.47706 3.50799 3.51935 3.55088 3.56492 3.57184 3.60982 3.62173 3.64222 3.65092 3.66257 3.72415 3.75430 3.78655 3.85438 3.87960 3.88543 3.88728 3.89133 3.89624 3.89824 3.90210 3.91156 3.91496 3.93045 3.94236 3.94662 3.95545 3.96078 3.96472 3.97627 4.06762 4.09193 4.15740 4.16134 4.16274 4.17440 4.17759 4.18504 4.22323 4.24268 4.25572 4.36541 4.37609 4.38105 4.42320 4.68990 4.69200 4.88652 4.90900 5.17087 5.28048 5.28953 5.43734 5.87980 6.13117 6.35455 9.96218 11.78020 11.82308 11.85249 20.59322 20.68297 20.90071 23.68198 23.71843 23.90678 23.97613 23.98388 23.99617 24.04956 24.06564 24.08738 24.10821 24.11581 24.11722 24.12444 24.13635 24.14467 24.16174 24.16677 24.17022 24.18922 24.20473 24.21263 24.28706 24.49550 26.20806 26.55214 26.98530 35.54977 40.11034 50.05011 50.12962 141.68878 216.05609</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="61">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="61">C C C C C C H H H Rh C H C H C H C H C H O O C H H H N Si C C C H H H C C C C C C H H H H H H H H H H H H H H H H H H C C Cl</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="61">0.457107 -0.272920 0.608306 0.021725 -0.725174 -0.529007 0.285314 0.271720 0.314279 0.143177 -0.467960 0.315920 -0.009448 0.339182 -0.270195 0.275909 -0.319810 0.299886 -0.185262 0.343881 0.221101 0.163316 -0.571149 0.226019 0.205317 0.247028 -0.487891 0.306227 -0.039155 -0.428837 -0.546378 0.335317 0.252395 0.241496 -0.478501 -0.534989 -0.536789 -0.635871 -0.365946 -0.640322 0.205763 0.118018 0.227115 0.228346 0.164441 0.193746 0.191112 0.171516 0.189551 0.214664 0.206015 0.073918 0.227929 0.194077 0.181599 0.090704 0.201769 0.181094 -0.247235 -0.594182 0.751020</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">1.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-6.5916 7.0694 1.2650</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">9.7482</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-148.1866 -174.9321 -192.2327</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">2.1432 -5.1833 -2.5464</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">23.5972 -3.1483 -20.4489 2.1432 -5.1833 -2.5464</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-229.3308 96.8983 -8.5277 -52.0754 -15.7501 17.9213 -45.4767 52.9110 -3.4746 -6.7983</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-8079.2609 -3778.8571 -2917.8642 242.1118 -100.7012 -21.6633 -0.3246 -22.4653 -62.6736 -1948.4141 -1889.6460 -1105.8082 40.9229 30.9885 -36.2760</array>
                  </list>
               </property>
               <property dictRef="cc:virtualorbs">
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