%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 0 1 Cl 1.465 -3.320 2.858 Cl -5.104 3.028 0.941 O 5.120 -5.631 -3.296 O 4.450 -4.698 -1.323 O -3.369 -1.887 4.557 O 5.161 -8.826 -2.078 O 7.750 -6.616 -3.295 O -3.485 -2.539 2.343 O -4.506 -5.607 4.470 O -4.615 -3.007 6.941 O 6.832 -5.728 -5.731 O 5.534 2.309 -9.459 O -2.134 -4.630 3.649 O 5.693 1.819 -7.195 O -1.107 -3.176 1.366 O 4.339 -8.715 0.420 O 4.011 5.612 -7.479 O 6.466 5.819 -8.884 O 3.220 3.001 -6.742 O 6.438 -2.619 -2.909 O -6.191 -1.334 5.421 O -4.376 0.318 2.075 O 3.721 0.044 -0.663 O 8.176 4.488 -10.669 O 0.633 -0.637 -1.864 O 4.147 -3.055 -7.791 O 2.957 -0.668 -8.048 O 9.288 -1.213 -7.875 O 2.977 -3.495 -5.930 O -0.121 3.893 -1.413 O 0.572 2.447 2.830 O 4.853 6.459 2.298 O 5.043 2.118 0.430 O 0.196 5.294 7.014 O 4.917 9.135 2.651 N 5.385 -6.699 0.223 N -6.568 -2.876 3.819 N 3.283 -1.374 -2.373 N 4.679 -2.605 -4.364 N 1.480 1.436 -2.081 N -0.010 2.226 0.098 N 0.020 4.503 2.051 N 0.791 4.992 4.811 N 2.277 6.299 7.852 H 1.326 6.003 8.031 C 5.783 -6.608 -1.172 C 6.189 -7.904 -1.898 C 6.643 -7.481 -3.318 C 4.685 -5.892 -1.988 C 5.434 -6.821 -4.005 C -5.210 -3.392 3.740 C -4.907 -4.352 4.931 C -3.938 -3.769 5.981 C -2.813 -2.933 5.350 C -4.227 -2.220 3.519 C 3.475 -3.832 -1.900 C 5.685 -6.493 -5.483 C 4.171 -2.457 -2.041 C -1.705 -3.742 4.648 C 2.249 -3.778 -1.024 C 4.618 -7.612 0.856 C 5.254 -2.590 -3.165 C -6.966 -1.914 4.680 C 4.829 4.498 -7.765 C 5.621 4.703 -9.059 C 3.939 3.261 -7.912 C 6.403 3.418 -9.370 C -2.812 -1.541 1.681 C 4.826 2.054 -8.264 C 2.391 -3.666 0.352 C 0.977 -3.833 -1.579 C -8.453 -1.637 4.660 C 3.290 -0.177 -1.791 C 2.741 0.994 -2.650 C 4.163 -7.152 2.223 C 5.266 -2.854 -5.656 C -1.570 -1.907 1.128 C -9.170 -2.553 5.664 C 6.026 -1.729 -6.273 C 5.447 -0.472 -6.471 C -3.255 -0.234 1.446 C 0.000 -3.508 0.595 C 1.274 -3.531 1.157 C -0.137 -3.699 -0.775 C 7.150 3.518 -10.705 C 2.740 0.630 -4.115 C -1.326 0.231 0.059 C -0.553 1.208 -0.791 C -8.815 -2.192 7.107 C 6.198 0.526 -7.093 C -0.812 -1.002 0.407 C 4.088 -0.152 -5.970 C -2.541 0.605 0.595 C 3.974 0.316 -4.676 C -9.340 -3.199 8.142 C 0.563 0.553 -1.645 C 7.305 -1.980 -6.754 C 3.975 -3.187 -6.582 C 7.477 0.273 -7.560 C 1.603 0.531 -4.898 C -8.242 -4.096 8.721 C 2.932 -0.269 -6.757 C 8.030 -0.991 -7.398 C 1.707 0.102 -6.207 C -7.694 -5.100 7.710 C 0.126 3.496 -0.288 C -6.406 -5.781 8.169 C -3.955 1.422 2.802 C 0.689 4.479 0.748 C -6.582 -6.664 9.402 C -4.112 2.721 2.322 C -3.260 1.230 3.991 C 2.189 4.323 0.949 C -0.253 4.044 4.414 C -1.680 4.604 4.539 C -2.623 3.549 4.024 C 0.128 3.564 3.004 C -3.420 3.769 2.911 C -2.622 2.285 4.606 C -5.290 -7.394 9.749 C 2.836 5.399 1.548 C 2.915 3.205 0.581 C 4.210 5.357 1.747 C 4.302 3.162 0.774 C 1.006 5.331 6.084 C 4.947 4.256 1.363 C 2.454 5.779 6.465 C 3.088 6.740 5.499 C 4.288 6.986 3.402 C 3.710 6.191 4.381 C 3.055 8.118 5.641 C 4.310 8.387 3.587 C 3.686 8.923 4.703 H 6.659 -5.947 -1.179 H 7.038 -8.356 -1.358 H 6.941 -8.384 -3.860 H 3.772 -6.524 -2.024 H 4.585 -7.517 -3.949 H -5.157 -4.004 2.834 H -5.856 -4.530 5.452 H -3.498 -4.614 6.523 H -2.328 -2.383 6.166 H -4.813 -1.313 3.337 H 3.197 -4.200 -2.893 H 5.437 -5.794 0.669 H 4.840 -5.917 -5.868 H 5.738 -7.450 -6.024 H 4.669 -2.218 -1.097 H 4.772 -9.019 -1.193 H 7.416 -5.712 -3.168 H -7.270 -3.377 3.300 H -1.211 -4.353 5.409 H -0.976 -3.032 4.241 H -3.595 -5.525 4.121 H -5.058 -2.261 6.488 H 2.809 -1.431 -3.267 H 5.533 4.329 -6.936 H 4.908 4.892 -9.880 H 3.250 3.426 -8.758 H 7.128 3.262 -8.553 H 7.574 -6.116 -5.242 H 4.204 1.182 -8.492 H 3.378 -3.645 0.786 H 0.856 -3.942 -2.645 H -8.852 -1.794 3.656 H -8.611 -0.597 4.947 H 3.452 1.818 -2.495 H 3.676 -2.827 -4.451 H 3.705 -7.986 2.747 H 3.425 -6.359 2.109 H 5.001 -6.774 2.803 H 5.894 -3.749 -5.634 H -10.249 -2.454 5.521 H -8.906 -3.592 5.459 H -2.314 -4.121 2.841 H -1.127 -3.683 -1.203 H 6.460 3.833 -11.490 H 7.540 2.529 -10.964 H -1.230 1.721 -1.488 H -9.227 -1.202 7.316 H -7.732 -2.112 7.202 H 0.169 -1.285 0.073 H 1.247 2.416 -2.145 H -2.947 1.578 0.371 H 4.874 0.420 -4.084 H -10.117 -3.822 7.693 H -9.801 -2.655 8.968 H 4.556 6.395 -7.624 H 7.120 5.803 -9.601 H 2.876 3.851 -6.437 H 7.731 -2.965 -6.620 H 8.048 1.045 -8.048 H 0.635 0.778 -4.489 H -8.647 -4.632 9.582 H -7.423 -3.466 9.074 H 0.253 1.950 1.041 H 0.832 0.028 -6.833 H -8.456 -5.854 7.494 H -7.474 -4.571 6.783 H 8.871 4.180 -10.074 H -5.658 -5.012 8.373 H -6.027 -6.397 7.349 H 0.518 5.466 0.305 H 3.527 -1.465 -8.159 H -7.372 -7.395 9.213 H -6.887 -6.054 10.253 H 9.523 -2.135 -7.713 H -3.194 0.235 4.402 H -0.441 5.365 2.293 H -0.179 3.166 5.067 H -1.791 5.533 3.978 H -1.868 4.819 5.593 H -3.494 4.752 2.471 H -2.087 2.110 5.526 H -5.424 -8.019 10.630 H -4.976 -8.028 8.922 H -4.495 -6.680 9.952 H 2.286 6.288 1.825 H 2.440 2.348 0.132 H 1.561 5.103 4.163 H 6.015 4.231 1.502 H 3.056 4.864 6.501 H 3.766 5.119 4.255 H 4.514 1.371 0.046 H 2.349 7.301 7.854 H 2.924 5.908 8.513 H 2.544 8.605 6.461 H 3.673 9.996 4.833 H 4.889 10.073 2.876 charges.txt