%NProcShared=64 %Mem=54Gb #B3LYP/6-31G(d,p) SCF=Tight Pop=(ESP,Dipole,Regular) Iop(6/33=2) Iop(6/42=6) Iop(6/50=1) gfinput partial charges +1 1 O -2.974 -1.011 -1.397 O -0.520 -0.697 0.853 O 1.238 0.335 -0.200 O -4.902 -1.022 -0.222 O -0.507 -0.572 -2.737 O -4.778 -3.929 -0.205 O -7.934 -3.167 -0.218 O 2.222 1.927 2.817 O 2.922 -0.845 1.699 O 1.853 5.946 -2.037 O -0.199 4.740 2.272 O 6.017 2.563 2.299 O -6.875 -4.290 1.449 O 6.804 0.736 1.200 O 2.033 -2.751 1.084 N -0.293 -3.429 -0.389 H 0.346 -2.987 0.298 C -1.057 -2.333 -1.132 C -2.310 -1.810 -0.392 C -0.116 -1.151 -1.509 C -1.944 -0.902 0.821 C -0.074 -0.108 -0.366 C 1.346 1.565 0.557 C 1.263 2.780 -0.407 C -5.613 -3.480 -1.273 C -4.375 -1.212 -1.523 C -4.730 -2.582 -2.158 C -6.754 -2.546 -0.815 C 2.606 1.586 1.487 C -6.256 -1.396 0.084 C 2.373 2.710 -1.478 C -2.373 -1.416 2.186 C 2.332 3.647 -2.718 C 1.186 4.096 0.398 C 3.598 0.402 1.406 C -6.146 -4.681 -2.063 C 0.579 -4.208 -1.338 C -1.165 -4.398 0.362 C -7.170 -0.175 0.029 C 2.892 5.091 -2.546 C 4.740 0.566 2.439 C 0.969 3.648 -3.423 C -0.103 4.259 1.158 C -7.899 -3.922 0.890 C 4.104 5.110 -1.661 C 1.484 0.957 3.569 C 5.970 1.283 1.900 C 2.842 -1.868 0.829 C -9.288 -4.298 1.354 C 5.378 5.186 -2.077 C 3.775 -1.959 -0.363 C 7.220 3.394 2.097 C -10.237 -3.103 1.533 C 7.642 3.550 0.625 C 6.526 4.925 -1.198 C 6.523 3.927 -0.299 C 5.234 -2.273 0.024 C 8.346 2.891 2.993 H -1.388 -2.801 -2.060 H -2.973 -2.623 -0.091 H 0.905 -1.510 -1.658 H -2.436 0.061 0.633 H -0.746 0.727 -0.623 H 0.487 1.612 1.232 H 0.302 2.676 -0.930 H -4.685 -0.396 -2.187 H -5.234 -2.403 -3.113 H -3.814 -3.132 -2.386 H -7.188 -2.127 -1.728 H 3.223 2.441 1.194 H -6.204 -1.771 1.111 H 3.355 2.805 -1.003 H 2.335 1.690 -1.875 H -1.829 -2.317 2.480 H -2.181 -0.653 2.944 H -3.443 -1.636 2.177 H 3.053 3.190 -3.408 H 2.019 4.225 1.096 H 1.228 4.934 -0.313 H 4.006 0.370 0.396 H -6.802 -4.372 -2.882 H -6.707 -5.354 -1.408 H -5.305 -5.242 -2.481 H -1.459 -0.384 -2.666 H 1.139 -3.529 -1.976 H 1.267 -4.809 -0.746 H -0.061 -4.845 -1.948 H -0.529 -5.201 0.730 H -1.635 -3.897 1.203 H -1.925 -4.793 -0.311 H -8.188 -0.447 0.325 H -7.206 0.242 -0.983 H -6.806 0.597 0.711 H 3.171 5.436 -3.554 H -5.373 -4.186 0.528 H 4.363 1.080 3.323 H 5.076 -0.433 2.726 H 1.031 4.162 -4.388 H 0.633 2.622 -3.608 H 0.204 4.155 -2.830 H -1.016 3.937 0.607 H 3.914 4.973 -0.598 H 1.057 1.497 4.417 H 2.131 0.157 3.941 H 0.675 0.505 2.987 H 2.249 6.813 -1.873 H -9.170 -4.855 2.285 H -9.700 -4.988 0.607 H 5.590 5.406 -3.125 H 3.384 -2.771 -0.977 H 3.724 -1.048 -0.966 H 6.865 4.361 2.461 H -9.846 -2.395 2.269 H -10.385 -2.573 0.589 H -11.210 -3.454 1.886 H 8.089 2.607 0.293 H 8.429 4.313 0.603 H 7.421 5.534 -1.329 H 5.644 3.286 -0.260 H 5.726 -1.437 0.526 H 5.802 -2.494 -0.884 H 5.283 -3.152 0.673 H 9.179 3.600 2.963 H 8.004 2.808 4.028 H 8.711 1.917 2.659 charges.txt