%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 4.706 -1.254 0.643 O 3.321 0.526 0.733 O 1.323 1.491 -0.049 O 5.417 -2.997 -1.363 O 6.144 0.805 -0.245 O 4.688 -4.689 -3.821 O -6.194 2.647 0.305 O -1.680 -0.469 2.127 O -4.336 -0.707 2.820 O -3.620 2.928 -2.101 O -2.994 3.916 -0.172 C 4.142 -2.600 0.647 C 3.989 -0.363 -0.184 C 2.704 1.708 0.243 C 2.799 -2.448 -0.098 C 2.999 -1.217 -0.991 C 5.182 -3.514 -0.045 C 2.842 2.828 1.331 C 0.496 0.957 1.011 C 5.015 0.410 -1.030 C 0.794 1.619 2.390 C 1.547 2.942 2.170 C 4.813 -5.021 -0.110 C 5.419 -5.074 -2.638 C 3.971 -3.000 2.115 C 4.403 -5.453 -1.525 C -0.956 1.186 0.545 C 3.305 2.187 -1.058 C 6.256 -3.837 -2.179 C 4.375 1.633 -1.624 C 4.124 2.704 2.165 C 1.480 0.652 3.369 C 6.312 -6.247 -3.079 C -1.958 0.557 1.500 C -1.248 0.659 -0.895 C -3.327 1.218 1.664 C -5.908 0.555 1.517 C -4.426 0.122 1.659 C 7.623 -4.093 -1.533 C -6.195 1.223 0.144 C -7.492 0.721 -0.546 C -7.778 1.579 -1.816 C -6.365 3.438 -0.900 C 5.575 -7.394 -3.779 C -6.652 2.569 -2.127 C -1.220 -0.862 -1.077 C -3.251 2.063 2.956 C -6.463 1.327 2.726 C -5.188 4.430 -1.066 C -8.739 0.678 0.349 C -5.251 5.555 -0.019 C -3.807 3.694 -1.114 C -4.349 6.750 -0.342 H 2.528 -3.342 -0.661 H 2.004 -2.265 0.632 H 3.451 -1.506 -1.942 H 2.078 -0.667 -1.186 H 6.102 -3.394 0.543 H 2.925 3.765 0.767 H 0.686 -0.119 1.083 H 5.344 -0.269 -1.828 H -0.167 1.887 2.845 H 1.779 3.399 3.140 H 0.864 3.633 1.663 H 3.998 -5.253 0.581 H 5.667 -5.618 0.227 H 4.939 -3.064 2.621 H 3.467 -3.965 2.215 H 3.365 -2.247 2.624 H 4.213 -6.530 -1.533 H 3.449 -4.982 -1.782 H -1.164 2.263 0.505 H 2.820 3.057 -1.492 H 6.425 -3.242 -3.083 H 4.809 2.053 -2.527 H 4.280 3.625 2.738 H 4.071 1.872 2.870 H 4.995 2.539 1.526 H 0.828 -0.206 3.561 H 1.679 1.145 4.328 H 2.424 0.277 2.969 H 7.078 -5.856 -3.761 H 6.842 -6.631 -2.200 H -0.494 1.116 -1.542 H -2.209 1.072 -1.218 H -3.482 1.906 0.829 H -6.427 -0.413 1.498 H -4.225 -0.498 0.766 H 8.039 -3.140 -1.192 H 8.314 -4.515 -2.267 H 7.586 -4.776 -0.681 H -5.369 0.952 -0.530 H 6.376 0.013 0.267 H -7.271 -0.309 -0.859 H 4.160 -3.914 -3.579 H -8.702 2.151 -1.656 H -7.968 0.930 -2.678 H -7.269 4.043 -0.718 H 6.286 -8.172 -4.077 H 5.062 -7.040 -4.676 H 4.830 -7.866 -3.130 H -5.732 2.072 -2.442 H -6.948 3.230 -2.950 H -1.992 -1.366 -0.486 H -0.256 -1.295 -0.790 H -1.392 -1.117 -2.128 H -4.127 2.704 3.055 H -2.372 2.716 2.940 H -3.187 1.421 3.838 H -6.164 2.375 2.709 H -7.556 1.302 2.736 H -6.107 0.869 3.652 H -5.331 4.882 -2.060 H -8.965 1.670 0.753 H -9.607 0.355 -0.238 H -8.635 -0.019 1.186 H -3.391 -0.939 2.877 H -6.290 5.905 0.064 H -4.975 5.143 0.957 H -4.620 7.202 -1.304 H -4.428 7.530 0.424 H -3.306 6.429 -0.397 charges.txt