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g16 /usr/local/g16/l1.exe "/home/sgervasoni/Gau-408546.inp" -scrdir="/home/sgervasoni/" NProcShared=64 Mem=54Gb #B3LYP/6-31G(d,p) SCF=Tight Pop=(ESP,Dipole,Regular) Iop(6/33=2) Iop(6 1/38=1,172=1/1 2/12=2,17=6,18=5,40=1/2 3/5=1,6=6,7=101,11=2,24=10,25=1,30=1,74=-5/1,2,3 4//1 5/5=2,32=2,38=5/2 6/15=24,28=1,33=2,42=6,50=1/1,2 99/5=1,9=1/99 partial charges Stoichiometry C66H76Cl2N9O24(1+) Framework group C1[X(C66H76Cl2N9O24)] Deg. of freedom 525 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 1903 A 1903 A 3408 1903 23050.9679410177 177 1.00e+00 60 T 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1373.6581000000028 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3.71976 3.75993 3.80398 3.84299 3.88833 3.91944 3.95334 3.97200 3.98942 4.00191 4.01041 4.01385 4.02392 4.04146 4.06678 4.07593 4.07922 4.09114 4.09324 4.10344 4.10874 4.11117 4.11647 4.13214 4.14167 4.15029 4.15494 4.16814 4.18077 4.18415 4.19378 4.19625 4.20025 4.20638 4.21240 4.21424 4.22329 4.22798 4.24554 4.25144 4.26157 4.27010 4.27791 4.28563 4.29765 4.31200 4.31684 4.31939 4.34358 4.34655 4.35410 4.36103 4.36578 4.37504 4.38886 4.39192 4.39398 4.39795 4.40776 4.41338 4.42245 4.42558 4.42631 4.43805 4.45134 4.45507 4.46633 4.47991 4.48597 4.49723 4.50726 4.53079 4.53812 4.54225 4.56553 4.57550 4.59126 4.59706 4.60186 4.60724 4.62851 4.63542 4.65620 4.67034 4.67531 4.68546 4.69243 4.69853 4.71367 4.72691 4.72891 4.76564 4.78500 4.80156 4.81223 4.82454 4.84330 4.85483 4.88123 4.89635 4.90608 4.92999 4.95271 5.20678 1-A. 376 377 378 379 380 381 382 383 384 385 O|O|O|O|O|V|V|V|V|V -0.23342 -0.22051 -0.21615 -0.21160 -0.18108 -0.14268 -0.11391 -0.10359 -0.09399 -0.08587 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00009 0.00269 0.00047 0.00001 0.00064 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00006 -0.01090 -0.00342 0.00035 -0.00377 1 Cl 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 1 Cl 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ 1.99865 1.98807 1.99191 1.99161 1.98896 1.46526 1.31038 1.26478 1.04534 0.51638 0.57884 0.54676 0.29743 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 Cl Cl O O O O O O O O O O O O O O O O O O O O O O O O N H N N N N N N N H N 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 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 0.026563 -0.026992 -0.509771 -0.518203 -0.529007 -0.572584 -0.550863 -0.555841 -0.552204 -0.531686 -0.578829 -0.616230 -0.491881 -0.518975 -0.557758 -0.604701 -0.534637 -0.498644 -0.522203 -0.530076 -0.562133 -0.531160 -0.578697 -0.612294 -0.550683 -0.567281 -0.538008 0.318182 -0.546076 -0.490945 -0.526535 -0.514459 -0.543871 -0.502799 -0.518702 0.329551 -0.598093 0.051186 0.156637 -0.238316 0.443278 0.145291 0.151427 0.131051 -0.331741 0.138471 0.366212 0.159183 -0.337607 0.033385 0.251865 0.331114 0.290003 -0.131767 -0.145101 0.063673 -0.050922 0.573555 0.350115 0.331839 0.588818 -0.100374 -0.014754 -0.157517 -0.053291 -0.146156 -0.108188 0.070087 -0.008056 0.077204 0.174178 0.082038 -0.047223 -0.142787 -0.100584 -0.096188 -0.065929 0.109520 0.609530 -0.279635 0.623682 -0.059468 0.578777 -0.202576 -0.098387 0.644579 -0.094631 -0.142681 -0.036287 -0.092470 -0.140112 0.056867 0.594780 0.343523 -0.106017 -0.326645 -0.322012 0.330234 -0.187138 0.595420 -0.223177 0.345653 -0.133378 0.115443 0.146165 0.136637 0.117985 0.121779 0.119098 0.098658 0.178870 0.142649 0.115039 0.120116 0.098989 0.109913 0.333840 0.354598 0.142437 0.128592 0.108112 0.340839 0.109782 0.096935 0.332971 0.316241 0.311233 0.086394 0.175946 0.175251 0.309205 0.254007 0.099759 0.125526 0.141823 0.108479 0.168493 0.132503 0.116241 0.113292 0.084511 0.123321 0.111208 0.147875 0.266360 0.174897 0.151314 0.278821 0.315181 0.173738 0.139084 0.120326 0.125742 0.100487 0.068363 0.145120 0.268904 0.332470 0.381042 0.090865 0.386271 0.128827 0.116164 0.129887 0.095379 0.143470 0.118638 0.126651 0.181629 0.180014 0.175054 0.297789 0.287813 0.088412 0.333634 0.319071 0.324293 1.00000 alpha 376 377 378 379 380 381 382 383 384 385 O O O O O V V V V V -0.233420 -0.220509 -0.216152 -0.211598 -0.181075 -0.142676 -0.113913 -0.103591 -0.093990 -0.085870 1.688405 2.340843 1.615145 2.339415 2.248948 1.958669 1.479802 1.568776 1.189032 1.614925 5.735985591878D+03 -54.6156 4.4813 -15.8427 57.0433 -547.9307 -355.6838 -504.5060 215.9377 41.6636 24.8171 -78.5572 113.6897 -35.1326 215.9377 41.6636 24.8171 -4888.8647 333.4897 -206.5507 -624.6042 -738.0464 -314.7619 -468.3051 188.3986 -642.4407 -524.5023 -102397.4469 -44154.2354 -11026.7266 11243.7999 5521.3910 6183.9759 331.2223 62.9436 -7.9803 -19777.4989 -15905.3423 -9099.7882 3476.7601 1416.6574 1883.1454 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|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(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-TNT SGERVASONI 2026-03-04T00:00:00.000 0 partial charges 1 1 Version=ES64L-G16RevA.03 State=1-A HF=-5779.0907436 RMSD=5.077e-09 Dipole=-13.3935704,11.1543164,-14.1372621 Quadrupole=-64.348016,158.4983214,-94.1503054,43.6405446,-81.4100824,-71.4004641 PG=C01 [X(C66H76Cl2N9O24)] 0 -3.263 2.3 -3.845 0 -2.548 -1.668 2.731 0 -4.541 -5.686 -0.393 0 -4.509 -3.892 -1.819 0 -1.493 -2.866 -3.539 0 -4.28 -5.827 3.224 0 -4.213 -1.986 -3.966 0 -2.51 -2.301 -1.588 0 -3.235 -4.993 -5.756 0 -1.01 -1.857 -6.175 0 -1.75 -0.003 -2.895 0 -1.143 -3.148 0.584 0 3.849 0.275 1.65 0 2.567 1.597 -2.666 0 0.376 3.869 -7.49 0 2.579 -4.062 5.357 0 1.644 -1.643 3.186 0 3.612 4.371 -4.327 0 2.345 -1.486 8.317 0 1.291 6.883 -3.811 0 6.299 1.415 7.027 0 2.53 4.412 0.735 0 7.357 0.058 3.604 0 3.846 -4.286 7.585 0 5.688 -3.883 8.779 0 9.418 -3.502 5.901 0 -5.143 -3.338 2.945 0 -4.269 -2.745 2.921 0 2.108 1.926 -0.465 0 1.748 0.893 2.286 0 1.605 4.11 -3.28 0 1.235 -0.978 5.346 0 0.488 5.488 -5.454 0 3.713 -1.914 6.545 0 -0.543 8.44 -3.662 0 -1.188 8.295 -2.883 0 4.594 5.228 0.401 0 -5.205 -4.236 1.737 0 -4.063 -5.247 1.955 0 -4.958 -3.446 0.456 0 -4.179 -4.325 -0.548 0 -4.03 -6.268 0.794 0 -3.526 -4.045 -2.822 0 -4.031 -3.359 -4.105 0 -6.567 -4.915 1.733 0 -3.032 -3.7 -5.242 0 -2.187 -3.371 -2.427 0 -1.591 -3.667 -4.698 0 -2.621 -6.829 0.599 0 -0.597 -3.128 -5.727 0 -1.41 -1.586 -1.15 0 -1.023 -0.428 -1.814 0 -0.672 -2.012 -0.04 0 0.06 0.298 -1.345 0 0.477 -1.334 0.353 0 0.856 -0.175 -0.316 0 2.174 0.534 -0.055 0 2.693 0.504 1.401 0 -1.064 0.739 -3.817 0 -0.655 -3.396 1.86 0 2.299 2.326 -1.735 0 1.805 0.694 3.724 0 2.05 3.839 -1.926 0 -1.658 1.89 -4.332 0 0.214 0.398 -4.251 0 -1.215 -2.773 2.969 0 0.4 -4.273 2.064 0 1.151 3.368 -6.411 0 1.639 4.625 -5.649 0 0.354 2.418 -5.544 0 1.317 -3.574 5.652 0 0.484 -3.649 4.391 0 1.306 -2.131 6.252 0 -0.959 2.717 -5.196 0 0.92 1.232 -5.093 0 -0.682 -2.908 4.235 0 0.963 -4.393 3.317 0 3.11 0.995 4.426 0 1.554 -0.798 4.052 0 3.299 4.634 -1.54 0 2.409 4.324 -4.341 0 -0.799 7.473 -4.753 0 2.528 -1.86 7.178 0 -2.139 6.74 -4.609 0 4.097 0.016 4.476 0 0.442 6.551 -4.664 0 -2.842 6.444 -5.945 0 3.248 2.133 5.209 0 5.163 0.119 5.349 0 4.923 -2.131 7.3 0 6.195 -0.946 5.459 0 6.143 -1.952 6.435 0 3.426 4.731 -0.028 0 5.284 1.264 6.151 0 4.338 2.279 6.045 0 -4.038 5.53 -5.689 0 -3.311 7.727 -6.626 0 7.297 -0.872 4.596 0 7.232 -2.798 6.578 0 4.817 -3.621 7.972 0 -0.498 9.858 -4.029 0 8.346 -2.685 5.755 0 8.371 -1.736 4.742 0 -3.109 -4.696 1.967 0 -5.893 -3.162 -0.024 0 -4.367 -2.549 0.632 0 -3.104 -4.225 -0.352 0 -4.721 -7.088 1.021 0 -3.356 -5.11 -3.035 0 -5.017 -3.768 -4.351 0 -6.668 -5.51 0.83 0 -6.676 -5.567 2.596 0 -7.362 -4.173 1.735 0 -3.142 -2.932 -6.02 0 -1.521 -4.09 -1.903 0 -1.302 -4.702 -4.459 0 -5.97 -2.739 3.011 0 -5.093 -3.974 3.756 0 -2.627 -7.538 -0.224 0 -1.917 -6.033 0.368 0 -2.284 -7.34 1.497 0 -3.68 -6.569 3.352 0 -0.559 -3.844 -6.558 0 0.391 -3.07 -5.253 0 -3.401 -1.588 -3.617 0 -4.089 -5.028 -6.201 0 -0.37 -1.543 -6.823 0 0.308 1.214 -1.849 0 1.071 -1.707 1.175 0 2.932 0.04 -0.68 0 1.996 2.634 0.254 0 0.809 0.962 1.92 0 1.015 1.321 4.153 0 1.235 4.146 -1.258 0 0.66 -0.512 -3.885 0 0.82 -4.788 1.214 0 2.361 5.135 -6.303 0 2.044 2.85 -6.782 0 0.844 -4.201 6.43 0 0.423 -2.048 6.899 0 -1.447 3.593 -5.59 0 1.928 0.972 -5.371 0 -1.118 -2.371 5.062 0 1.848 -4.989 3.465 0 0.639 3.891 -3.47 0 4.188 4.174 -1.971 0 3.217 5.643 -1.951 0 1.275 -0.131 5.901 0 -0.187 5.391 -6.203 0 -0.768 8.009 -5.706 0 -1.993 5.805 -4.064 0 -2.821 7.358 -4.019 0 4.026 -0.855 3.844 0 -2.147 5.928 -6.617 0 2.494 2.907 5.176 0 4.929 -1.451 8.159 0 3.711 -2.381 5.643 0 0.13 3.138 -8.066 0 3.084 -4.235 6.222 0 4.455 3.157 6.659 0 0.479 8.029 -3.369 0 -4.525 5.276 -6.626 0 -4.767 6.029 -5.054 0 -3.735 4.607 -5.201 0 -2.484 8.381 -6.894 0 -3.843 7.484 -7.542 0 -3.993 8.275 -5.979 0 7.213 -3.552 7.35 0 0.265 10.014 -4.788 0 -0.244 10.456 -3.156 0 -1.462 10.189 -4.415 0 4.768 5.281 1.393 0 5.349 5.432 -0.23 0 9.215 -1.663 4.079 0 6.85 0.617 7.023 0 6.486 0.461 3.482 0 9.257 -4.11 6.634