%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 -1.908 3.234 0.025 O -0.936 -0.234 -0.728 O -0.786 4.681 -1.424 O 0.777 -2.993 0.952 O -1.508 -3.361 -1.010 O 0.087 -5.755 3.302 O 2.476 6.038 0.341 O -3.516 7.251 0.104 O 2.703 4.897 -3.166 O -3.531 -4.435 -0.940 O -0.337 -7.876 3.919 O 5.276 4.188 -2.137 O 2.864 3.965 1.361 O -5.008 -5.698 -3.940 O 3.465 8.390 2.549 O 5.313 7.650 1.480 C -2.129 1.834 -0.273 C -0.745 1.166 -0.454 C 0.237 -0.994 -0.335 C -2.039 4.074 -1.140 C -0.270 -2.051 0.672 C -2.908 1.851 -1.605 C -2.396 3.117 -2.296 C 0.233 1.203 0.722 C 1.161 0.027 0.384 C -3.102 5.134 -0.853 C -0.615 6.074 -1.080 C -1.510 -2.899 0.347 C -1.188 6.396 0.314 C 0.210 -4.272 1.325 C -2.717 6.076 0.296 C -1.313 -4.071 1.320 C -2.937 1.235 0.875 C 0.850 6.431 -1.434 C 0.913 -1.587 -1.572 C 0.792 -4.655 2.700 C 1.939 5.491 -0.871 C 2.326 -4.838 2.691 C -0.489 5.728 1.505 C 3.114 5.302 -1.860 C 2.700 -6.288 2.321 C 1.925 -7.382 3.089 C 1.144 7.918 -1.188 C 0.399 -7.125 2.975 C 4.183 4.391 -1.238 C 4.650 4.947 0.122 C 3.435 5.231 1.033 C -2.769 -3.428 -1.617 C 2.957 -4.328 3.999 C 2.384 -7.572 4.544 C -0.169 -7.553 1.620 C -2.582 -3.773 -3.102 C 3.755 6.020 2.311 C 5.694 4.027 0.767 C -2.653 -5.289 -3.300 C -4.606 -4.970 -1.722 C -4.044 -5.812 -2.891 C 2.201 3.571 -3.307 C 4.217 7.492 2.088 C -5.510 -5.761 -0.791 C -4.955 -6.744 -4.896 H -0.261 1.638 -1.324 H -0.525 -1.507 1.597 H -2.739 0.942 -2.186 H -3.981 1.927 -1.402 H -3.126 3.562 -2.977 H -1.486 2.924 -2.869 H -0.287 1.030 1.669 H 0.768 2.152 0.796 H 1.643 -0.412 1.261 H 1.952 0.355 -0.298 H -4.056 4.641 -0.646 H -3.241 5.741 -1.755 H -1.217 6.672 -1.784 H -2.430 -2.339 0.541 H -1.107 7.484 0.434 H 0.509 -4.992 0.553 H -2.982 5.605 1.251 H -1.661 -3.790 2.320 H -1.868 -4.949 0.995 H -2.419 1.340 1.832 H -3.899 1.747 0.954 H -3.118 0.172 0.697 H 0.893 6.262 -2.517 H 1.811 -2.138 -1.280 H 1.209 -0.777 -2.246 H 0.245 -2.267 -2.097 H 0.547 -3.809 3.355 H 1.490 4.517 -0.658 H 2.709 -4.195 1.891 H -0.544 4.640 1.428 H -0.985 6.025 2.437 H 0.557 6.027 1.560 H 3.570 6.289 -2.026 H 3.777 -6.437 2.465 H 2.521 -6.428 1.248 H 2.116 -8.332 2.574 H 1.191 8.154 -0.122 H 0.372 8.544 -1.649 H 2.104 8.203 -1.629 H 3.763 3.391 -1.083 H 5.108 5.930 -0.038 H -3.392 7.814 0.881 H -3.289 -2.462 -1.491 H 4.027 -4.560 4.038 H 2.848 -3.241 4.069 H 2.488 -4.760 4.886 H 3.476 -7.607 4.597 H 2.052 -6.762 5.201 H 2.002 -8.512 4.951 H 0.374 -7.111 0.784 H -0.101 -8.641 1.531 H -1.220 -7.264 1.556 H -1.628 -3.359 -3.440 H -3.369 -3.290 -3.690 H 2.847 6.024 2.926 H 4.528 5.476 2.864 H 6.484 3.804 0.045 H 6.155 4.503 1.637 H 5.244 3.083 1.089 H -1.890 -5.776 -2.683 H -2.443 -5.560 -4.339 H -0.108 -7.529 4.794 H 5.666 5.056 -2.318 H -5.181 -4.145 -2.170 H -3.968 -6.867 -2.587 H 2.159 4.129 2.005 H 2.969 2.816 -3.102 H 1.893 3.475 -4.351 H 1.329 3.386 -2.669 H -6.317 -6.224 -1.366 H -5.950 -5.113 -0.029 H -4.943 -6.553 -0.290 H -5.754 -6.560 -5.618 H -3.998 -6.773 -5.436 H -5.116 -7.726 -4.428 charges.txt