%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 -0.600 2.405 0.768 O -0.339 -1.219 1.197 O 0.989 4.139 0.730 O 0.030 -3.560 -0.248 O -3.220 -4.357 0.483 O 0.955 -6.264 0.303 O 2.443 7.641 -1.096 O -2.577 4.347 0.665 O 4.020 4.331 -0.515 O 6.300 6.047 -0.641 O -5.161 -3.644 -0.474 O 2.465 -5.677 1.906 O 3.374 8.639 0.806 O -6.670 -6.808 -0.112 O -8.714 -4.549 -0.075 O 4.034 9.645 -3.429 O 1.890 10.339 -3.287 C 0.055 1.106 0.639 C -0.887 0.098 1.335 C -1.396 -2.226 1.182 C 0.169 3.324 1.565 C 1.376 1.261 1.429 C -1.261 -2.946 -0.180 C 1.098 2.429 2.385 C -2.323 -0.006 0.818 C -2.714 -1.417 1.278 C -0.815 4.187 2.360 C 0.258 4.961 -0.206 C -2.293 -4.059 -0.571 C -0.693 5.932 0.528 C -1.633 5.100 1.436 C -0.033 -4.656 -1.165 C -1.413 -5.273 -0.924 C 1.242 5.591 -1.219 C 0.282 0.799 -0.838 C -1.155 -3.157 2.371 C 1.166 -5.581 -0.947 C 2.490 6.289 -0.591 C 2.524 -4.862 -0.975 C 3.874 5.688 -0.935 C -0.022 7.068 1.312 C 3.650 -5.897 -0.754 C 1.562 4.609 -2.360 C 3.211 -7.130 0.069 C 4.997 6.602 -0.414 C 2.065 -6.748 1.031 C 4.847 8.033 -0.966 C 3.437 8.554 -0.617 C -4.478 -4.789 0.046 C 2.755 -4.056 -2.259 C -5.226 -5.376 1.237 C 4.414 -7.783 0.760 C 3.062 9.905 -1.242 C 1.530 -7.916 1.860 C 5.971 8.951 -0.472 C -6.668 -5.735 0.834 C -6.505 -3.880 -0.943 C -7.323 -4.484 0.226 C 4.288 4.104 0.864 C 2.985 9.957 -2.798 C 6.630 5.703 -1.980 C -6.539 -4.620 -2.281 C -6.605 -8.099 0.478 C -9.296 -5.760 -0.553 H -0.919 0.368 2.404 H 1.641 0.335 1.943 H 2.191 1.518 0.747 H -1.315 -2.166 -0.955 H 0.570 2.091 3.282 H 1.996 2.963 2.697 H -2.355 0.069 -0.274 H -2.968 0.774 1.227 H -3.044 -1.395 2.322 H -3.519 -1.860 0.692 H -0.243 4.792 3.071 H -1.484 3.540 2.936 H -0.393 4.297 -0.788 H -2.865 -3.710 -1.434 H -1.333 6.382 -0.243 H -2.230 5.789 2.044 H 0.027 -4.276 -2.198 H -1.371 -5.934 -0.056 H -1.781 -5.836 -1.785 H 0.679 6.417 -1.671 H -0.656 0.805 -1.400 H 0.742 -0.186 -0.948 H 0.943 1.551 -1.275 H -0.207 -3.686 2.256 H -1.120 -2.567 3.292 H -1.958 -3.892 2.452 H 1.141 -6.323 -1.762 H 2.391 6.315 0.497 H 2.519 -4.173 -0.126 H 3.952 5.642 -2.025 H -0.779 7.659 1.840 H 0.686 6.695 2.058 H 0.518 7.741 0.643 H 4.026 -6.248 -1.723 H 4.491 -5.400 -0.257 H 0.632 4.240 -2.806 H 2.142 3.755 -2.005 H 2.130 5.098 -3.158 H 2.776 -7.868 -0.617 H 4.934 6.655 0.678 H 4.868 8.022 -2.059 H -2.153 3.499 0.451 H -4.373 -5.542 -0.749 H 2.636 -4.682 -3.152 H 2.067 -3.210 -2.340 H 3.775 -3.657 -2.272 H -5.231 -4.635 2.044 H -4.699 -6.262 1.602 H 4.844 -7.118 1.518 H 5.201 -7.988 0.026 H 4.157 -8.731 1.240 H 2.083 10.187 -0.835 H 3.789 10.648 -0.898 H 2.275 -8.274 2.576 H 0.649 -7.582 2.414 H 1.244 -8.751 1.214 H 5.879 9.151 0.599 H 6.943 8.482 -0.649 H 5.953 9.904 -1.007 H -7.242 -6.033 1.724 H -6.902 -2.873 -1.110 H -7.261 -3.733 1.024 H 3.063 -6.042 2.573 H 2.540 9.076 1.029 H 3.543 4.570 1.517 H 4.238 3.021 1.007 H 5.291 4.447 1.143 H 7.689 5.433 -1.974 H 6.490 6.538 -2.678 H 6.053 4.841 -2.337 H -5.905 -4.092 -3.000 H -6.203 -5.654 -2.198 H -7.559 -4.624 -2.674 H -5.681 -8.249 1.053 H -7.462 -8.278 1.142 H -6.630 -8.824 -0.338 H -9.267 -6.558 0.197 H -10.341 -5.515 -0.759 H -8.827 -6.129 -1.470 charges.txt