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                  <scalar dataType="xsd:string" dictRef="g:link0">g16</scalar>
                  <array dataType="xsd:string" dictRef="g:command" size="3">/usr/local/g16/l1.exe "/home/sgervasoni/tylvalosin_+1/chgs/Gau-13088.inp" -scrdir="/home/sgervasoni/tylvalosin_+1/chgs/"</array>
               </module>
               <module cmlx:templateRef="l1" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l1.end">
                     <array dataType="xsd:string" dictRef="g:kk" size="1">NProcShared=64</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">Mem=54Gb</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#B3LYP/6-31G(d,p) SCF=Tight Pop=(ESP,Dipole,Regular) Iop(6/33=2) Iop(6</scalar>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">1/38=1,172=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/12=2,17=6,18=5,40=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=1,6=6,7=101,11=2,24=10,25=1,30=1,74=-5/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4//1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,32=2,38=5/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/15=24,28=1,33=2,42=6,50=1/1,2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99/5=1,9=1/99</scalar>
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               </module>
               <module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l101.title">
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">partial charges</scalar>
                  </module>
                  <list cmlx:templateRef="rest">
                     <scalar dataType="xsd:string" dictRef="x:l101"/>
                     <scalar dataType="xsd:string" dictRef="x:l101">Stoichiometry    C53H88NO19(1+)</scalar>
                     <scalar dataType="xsd:string" dictRef="x:l101">Framework group  C1[X(C53H88NO19)]</scalar>
                     <scalar dataType="xsd:string" dictRef="x:l101">Deg. of freedom   477</scalar>
                     <scalar dataType="xsd:string" dictRef="x:l101">Full point group                 C1      NOp   1</scalar>
                     <scalar dataType="xsd:string" dictRef="x:l101">Largest Abelian subgroup         C1      NOp   1</scalar>
                     <scalar dataType="xsd:string" dictRef="x:l101">Largest concise Abelian subgroup C1      NOp   1</scalar>
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               </module>
               <module cmlx:templateRef="l301.basis" dictRef="g:primbasis">
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                     <array dataType="xsd:integer" dictRef="cc:adapted" size="1">1535</array>
                     <array dataType="xsd:string" dictRef="cc:symm" size="1">A</array>
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                     <array dataType="xsd:string" dictRef="cc:symm" size="1">A</array>
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                  <scalar dataType="xsd:integer" dictRef="g:primbasis">2660</scalar>
                  <scalar dataType="xsd:integer" dictRef="cc:cartesianbasis">1535</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:nucrepener">13747.8155449643</scalar>
                  <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">161</scalar>
                  <scalar dataType="xsd:double" dictRef="g:sfac">1.00e+00</scalar>
                  <scalar dataType="xsd:integer" dictRef="g:natfmm">60</scalar>
                  <scalar dataType="xsd:string" dictRef="g:big">T</scalar>
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                  <module cmlx:templateRef="l202.orient">
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2.32828 2.32841 2.33237 2.33546 2.33776 2.34534 2.34880 2.35276 2.35340 2.35824 2.36075 2.36269 2.36481 2.36982 2.37563 2.37878 2.37945 2.38289 2.38326 2.39068 2.39329 2.39501 2.39839 2.40080 2.40644 2.41250 2.42153 2.42822 2.42855 2.43146 2.43334 2.43444 2.43742 2.44512 2.44924 2.45196 2.45456 2.45578 2.46401 2.47042 2.47408 2.47453 2.47873 2.48253 2.48739 2.48817 2.49397 2.49599 2.50177 2.50261 2.50501 2.51361 2.51551 2.52325 2.52593 2.52675 2.53483 2.53554 2.53723 2.53827 2.53994 2.54242 2.54702 2.54821 2.55376 2.55536 2.55728 2.55962 2.56188 2.56674 2.56966 2.57200 2.57617 2.57762 2.57821 2.58198 2.58379 2.58658 2.59035 2.59173 2.59264 2.59606 2.60603 2.60650 2.60934 2.61011 2.61141 2.61320 2.61827 2.62162 2.62306 2.62407 2.62512 2.62950 2.63134 2.63274 2.63515 2.63622 2.63830 2.63945 2.64132 2.64680 2.64823 2.64927 2.65137 2.65364 2.65658 2.65696 2.65944 2.66279 2.66376 2.66741 2.66901 2.67101 2.67635 2.67734 2.67972 2.68436 2.68759 2.68990 2.69280 2.69621 2.69780 2.70051 2.70193 2.70616 2.70784 2.71089 2.71862 2.72005 2.72574 2.72769 2.73030 2.73281 2.73517 2.73890 2.74143 2.74301 2.74673 2.74793 2.75219 2.75905 2.76134 2.76377 2.76518 2.76757 2.76855 2.76998 2.77726 2.77865 2.78176 2.78490 2.78595 2.78912 2.79357 2.79659 2.80009 2.80245 2.80623 2.80769 2.80954 2.81078 2.81339 2.81589 2.81641 2.81795 2.82325 2.82583 2.82954 2.83225 2.83272 2.83369 2.83563 2.83819 2.83900 2.84123 2.84295 2.84878 2.85032 2.85279 2.85454 2.86076 2.86118 2.86512 2.87057 2.87545 2.87659 2.87759 2.88023 2.88694 2.88854 2.89142 2.89501 2.89821 2.90515 2.91195 2.91843 2.92807 2.92999 2.93453 2.95029 2.95147 2.95441 2.96131 2.96532 2.96882 2.97206 2.97766 2.98268 2.98980 2.99494 3.00108 3.01028 3.02174 3.02345 3.02745 3.02956 3.04064 3.04762 3.05489 3.05576 3.06937 3.07223 3.08001 3.08355 3.09251 3.10107 3.11039 3.11281 3.12418 3.12655 3.13036 3.13504 3.14297 3.14711 3.15389 3.15779 3.15999 3.16198 3.16326 3.16738 3.18002 3.18815 3.19481 3.20402 3.21699 3.22893 3.23390 3.24145 3.24251 3.24538 3.25711 3.26609 3.26828 3.27169 3.27549 3.27667 3.28108 3.28501 3.28857 3.30575 3.31237 3.31572 3.31821 3.33352 3.33618 3.33798 3.34011 3.34479 3.34507 3.34597 3.35389 3.35469 3.36648 3.36786 3.37205 3.37252 3.37400 3.37809 3.37929 3.38225 3.38398 3.38848 3.39501 3.39551 3.40038 3.40445 3.40552 3.40995 3.41230 3.41624 3.41849 3.42020 3.42847 3.43165 3.43395 3.43529 3.43707 3.43909 3.44044 3.44518 3.44911 3.45367 3.45631 3.45825 3.46796 3.47465 3.48218 3.48599 3.48662 3.49062 3.49512 3.50139 3.50488 3.50901 3.51028 3.51233 3.55092 3.90015 3.90235 3.91084 3.93453 3.95942 3.97080 3.99235 4.02152 4.03678 4.04739 4.05036 4.07029 4.07887 4.09585 4.10027 4.12031 4.13563 4.15612 4.16261 4.17615 4.19789 4.20770 4.22012 4.25073 4.25631 4.26247 4.26990 4.31874 4.32103 4.33238 4.34874 4.37020 4.37553 4.38115 4.39825 4.40758 4.41254 4.42937 4.43911 4.44291 4.44919 4.45922 4.46717 4.48613 4.48963 4.49958 4.50174 4.50560 4.50746 4.51043 4.53751 4.54900 4.58335 4.58514 4.59853 4.61574 4.62325 4.64716 4.64831 4.66522 4.66768 4.67940 4.70210 4.71253 4.73460 4.74791 4.77731 4.78738 4.81885 4.83146 4.85938 4.88747 4.90696</array>
                     <module cmlx:templateRef="l601.state">
                        <scalar dataType="xsd:string" dictRef="g:l601.state">1-A.</scalar>
                     </module>
                     <module cmlx:templateRef="l601.orbital.closedshell">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="10">278 279 280 281 282 283 284 285 286 287</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="cc:occupation" size="10">O|O|O|O|O|V|V|V|V|V</array>
                        <array dataType="xsd:double" dictRef="cc:eigenvalues" size="10">-0.30561 -0.29671 -0.29253 -0.28968 -0.27151 -0.12824 -0.12725 -0.10027 -0.07976 -0.07392</array>
                        <matrix cols="10" dataType="xsd:double" dictRef="g:orbitalcoeff" rows="2">-0.00046 -0.00119 -0.00002 0.00001 -0.00001 -0.00224 -0.00058 0.00257 0.00160 0.00068 0.00091 0.00249 -0.00000 0.00011 0.00002 0.00211 0.00251 -0.00393 0.00109 -0.00987</matrix>
                        <list dictRef="x:label">
                           <scalar dataType="xsd:string" dictRef="x:label">1   O  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        </list>
                     </module>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="1">1</array>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.grossorbpop">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="10">1 2 3 4 5 6 7 8 9 10</array>
                     <array dataType="xsd:string" delimiter="|" dictRef="x:label" size="10">1   O  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX</array>
                     <matrix cols="1" dataType="xsd:double" dictRef="g:totaloccup" rows="10">1.99231 0.89222 0.81129 0.95374 1.14074 1.04677 0.40511 0.55329 0.71062 0.01045</matrix>
                  </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="161">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="161">O O O O O O O O O O O O O O O O O O O N H C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="161">-0.511017 -0.538342 -0.527772 -0.504022 -0.532240 -0.580590 -0.461567 -0.474182 -0.489536 -0.390749 -0.466918 -0.503664 -0.470747 -0.503591 -0.500107 -0.491004 -0.512407 -0.509808 -0.537824 -0.485359 0.372297 0.010461 0.115497 0.134164 0.460318 0.157084 0.161672 -0.089446 -0.107492 0.269867 0.433568 -0.270480 0.177377 0.121856 -0.202906 0.150899 -0.373546 -0.273555 -0.337623 -0.343195 -0.133612 -0.209768 -0.205436 -0.300042 -0.327741 -0.337683 0.302860 0.401208 0.622875 0.589601 0.153287 -0.239995 0.620118 -0.145953 -0.166263 0.144926 0.186756 -0.073011 0.398602 0.054823 0.128114 -0.201632 0.137168 -0.120447 -0.083685 -0.417689 0.155736 -0.310700 -0.339917 -0.327258 -0.314773 -0.371151 -0.066707 -0.072564 0.161163 0.144882 0.111601 0.058428 0.166690 0.125024 0.107675 0.089037 0.108130 0.131846 0.115157 0.122284 0.097989 0.147000 0.117498 0.122916 0.089075 0.144159 0.133459 0.098633 0.153704 0.105116 0.150911 0.116369 0.111175 0.110314 0.148537 0.129184 0.337567 0.171015 0.176161 0.170257 0.179314 0.165835 0.170459 0.191633 0.151570 0.114318 0.142746 0.130202 0.327793 0.125205 0.122162 0.093490 0.071873 0.129402 0.136418 0.136818 0.151172 0.101860 0.090549 0.114605 0.079018 0.081008 0.092478 0.112184 0.108270 0.111297 0.120633 0.090447 0.082842 0.091869 0.167710 0.166092 0.172541 0.114929 0.110895 0.105668 0.126515 0.106503 0.125031 0.110171 0.101872 0.127023 0.119976 0.118832 0.096115 0.110361 0.166167 0.113731 0.307826 0.085136 0.107115 0.125402 0.100660 0.109052 0.108834</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">1.00000</scalar>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.kinetic">
                     <module>
                        <scalar dataType="xsd:string" dictRef="g:spintype">alpha</scalar>
                        <array dataType="xsd:integer" dictRef="x:serial" size="10">278 279 280 281 282 283 284 285 286 287</array>
                        <array dataType="xsd:string" dictRef="x:label" size="10">O O O O O V V V V V</array>
                        <array dataType="xsd:double" dictRef="g:orbitalener" size="10">-0.305606 -0.296712 -0.292525 -0.289676 -0.271511 -0.128241 -0.127254 -0.100274 -0.079763 -0.073923</array>
                        <array dataType="xsd:double" dictRef="g:kineticener" size="10">2.096991 2.174986 2.215570 1.651356 2.247435 2.024635 1.573087 1.903904 2.054019 1.814908</array>
                     </module>
                     <scalar dataType="xsd:string" dictRef="g:totalkineticener">3.523955427478D+03</scalar>
                  </module>
               </property>
               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">16.3490 11.1004 3.5337</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">20.0748</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-318.8193 -364.8088 -391.3917</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">32.5055 -74.1264 8.4520</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">39.5206 -6.4688 -33.0518 32.5055 -74.1264 8.4520</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">901.9150 238.7348 -91.2142 156.1349 -198.8988 -24.3168 83.7480 33.0901 -39.5697 -94.7007</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-92059.1720 -12684.6088 -10267.2277 1185.4278 -4281.0600 661.5034 76.4615 -263.1341 355.6010 -15901.3136 -15570.4678 -3735.6886 508.1657 -470.8055 418.9552</array>
                  </list>
               </property>
               <property dictRef="cc:virtualorbs">
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