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-0.0094 -0.0062 0.0156 -5.023 -3.292 8.315 -1.792 -1.175 2.967 -1.675 -1.098 2.774 12 H 1 0.08 0.7471 -0.6599 0.5138 0.5363 0.6696 0.8541 -0.3926 -0.341 -0.01 -0.0072 0.0173 -5.349 -3.862 9.211 -1.909 -1.378 3.287 -1.784 -1.288 3.072 13 H 1 0.8283 -0.468 -0.3081 0.4395 0.2015 0.8754 0.3476 0.8605 -0.3726 -0.0726 0.0014 0.0712 -38.757 0.755 38.003 -13.83 0.269 13.56 -12.928 0.252 12.676 14 H 1 0.7296 0.5082 -0.4577 0.0744 0.6062 0.7918 0.6799 -0.6117 0.4045 -0.0094 -0.0062 0.0156 -5.026 -3.31 8.336 -1.793 -1.181 2.975 -1.677 -1.104 2.781 15 H 1 -0.1579 -0.6347 0.7565 0.5884 0.5548 0.5883 0.793 -0.538 -0.2858 -0.0099 -0.0073 0.0172 -5.267 -3.921 9.188 -1.879 -1.399 3.279 -1.757 -1.308 3.065 16 H 1 -0.4528 -0.0269 0.8912 0.8559 0.2672 0.4429 -0.25 0.9633 -0.098 -0.0043 -0.003 0.0074 -2.299 -1.624 3.923 -0.82 -0.58 1.4 -0.767 -0.542 1.309 17 H 1 0.7558 0.1453 -0.6385 0.6448 -0.3348 0.6871 0.114 0.931 0.3467 -0.007 -0.0043 0.0113 -3.728 -2.31 6.038 -1.33 -0.824 2.154 -1.244 -0.771 2.014 18 H 1 -0.5616 0.4498 0.6945 0.7208 -0.1462 0.6776 0.4063 0.8811 -0.2421 -0.0022 -0.0021 0.0043 -1.191 -1.1 2.291 -0.425 -0.392 0.817 -0.397 -0.367 0.764 19 H 1 0.0282 -0.1017 0.2562 0.2771 -45.7761 -45.8378 -46.4351 -0.2430 -0.4478 -0.0060 0.2403 0.1786 -0.4188 -0.2430 -0.4478 -0.0060 0.2174 0.2726 1.8601 -1.1521 -0.1369 0.0794 1.4365 -0.4340 -0.9082 -0.7447 -530.4762 -360.7885 -189.4272 -3.3767 -5.1105 0.2804 -3.9302 -2.4736 2.2319 -144.9990 -119.6183 -95.5765 -2.2859 -0.6856 0.3381 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(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-N1968 HUILINGS 23-Apr-2024 0 #uwb97xd/def2TZVPP Title Card Required 0 2 Version=ES64L-G16RevA.03 State=2-A HF=-274.5455194 S2=0.754945 S2-1=0. S2A=0.750019 RMSD=5.357e-09 Dipole=0.0111005,-0.0399955,0.1007917 Quadrupole=0.1786225,0.1327604,-0.3113829,-0.1806438,-0.3329314,-0.0044757 PG=C01 [X(C7H13)] 0 -1.880649 -0.117515 -0.852272 0 -1.120543 -0.015235 0.471186 0 -0.333124 1.308337 0.564655 0 0.89384 1.300639 -0.287445 0 1.7919 0.108414 -0.234795 0 1.006656 -1.210847 -0.285339 0 -0.166771 -1.200181 0.696133 0 -1.205399 -0.015667 -1.716396 0 -2.401285 -1.083941 -0.940809 0 -2.635119 0.68017 -0.932989 0 -1.864698 -0.025855 1.28551 0 -0.039282 1.457938 1.626788 0 -0.983926 2.160452 0.31094 0 1.257478 2.233822 -0.726016 0 2.368103 0.129071 0.71712 0 2.544142 0.14473 -1.03823 0 1.676536 -2.05663 -0.063796 0 0.633116 -1.372901 -1.309924 0 -0.726185 -2.147774 0.628651 0 0.22866 -1.145092 1.726398