%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 3.684 -1.086 -0.402 O 4.285 1.052 -1.193 O 2.411 1.747 -0.076 O 3.128 -4.355 -1.938 O 6.204 -1.500 0.571 O -4.679 1.298 1.381 O 1.726 -6.238 -0.437 O -2.722 0.701 -2.088 O -0.238 1.696 -1.661 O -3.892 4.518 2.491 O -5.515 3.568 3.738 C 3.196 -2.008 -1.415 C 4.735 -0.272 -0.886 C 3.835 1.932 -0.164 C 3.904 -1.576 -2.716 C 5.181 -0.898 -2.212 C 3.657 -3.422 -0.979 C 4.187 3.362 -0.696 C 1.605 2.897 0.254 C 5.842 -0.178 0.178 C 1.667 3.964 -0.874 C 3.032 3.828 -1.601 C 3.257 -3.839 0.438 C 3.166 -6.241 -0.424 C 0.236 2.284 0.630 C 1.677 -1.880 -1.498 C 3.669 -5.297 0.692 C 4.438 1.602 1.180 C 3.661 -5.685 -1.786 C 5.354 0.649 1.341 C 4.613 4.381 0.374 C -4.561 -0.106 1.081 C 1.422 5.397 -0.371 C -3.959 -0.303 -0.339 C -0.400 1.433 -0.469 C -5.882 -0.868 1.311 C -1.350 0.270 -0.108 C -2.775 0.647 -0.658 C 3.562 -7.704 -0.164 C -0.836 3.290 1.134 C -6.889 1.321 0.312 C -7.065 -0.199 0.562 C -5.985 1.920 1.401 C 3.212 -6.477 -3.006 C -5.758 3.444 1.354 C -3.637 -1.770 -0.671 C -6.155 -1.049 2.816 C -1.276 -0.181 1.357 C 5.062 -8.021 -0.164 C -0.479 4.000 2.445 C -8.258 2.005 0.215 C -5.160 3.971 0.041 C -4.973 3.884 2.644 C -5.358 5.479 -0.145 H 3.282 -0.858 -3.258 H 4.090 -2.429 -3.372 H 5.576 -0.140 -2.891 H 5.970 -1.627 -2.008 H 4.756 -3.445 -1.042 H 5.061 3.202 -1.335 H 1.994 3.349 1.178 H 6.700 0.318 -0.300 H 0.888 3.729 -1.602 H 3.297 4.779 -2.076 H 2.932 3.092 -2.405 H 2.173 -3.738 0.567 H 3.735 -3.169 1.157 H 0.453 1.616 1.468 H 1.409 -0.863 -1.794 H 1.204 -2.092 -0.535 H 1.278 -2.581 -2.237 H 3.273 -5.645 1.653 H 4.763 -5.358 0.752 H 4.071 2.177 2.024 H 4.759 -5.621 -1.769 H 5.773 0.426 2.319 H 5.531 4.057 0.874 H 4.815 5.347 -0.101 H 3.860 4.547 1.148 H -3.840 -0.493 1.810 H 1.529 6.104 -1.201 H 0.417 5.527 0.037 H 2.134 5.695 0.405 H -4.720 0.029 -1.056 H -5.748 -1.876 0.906 H -1.007 -0.562 -0.736 H -3.047 1.631 -0.260 H 3.054 -8.325 -0.911 H 3.130 -7.983 0.805 H -1.776 2.754 1.297 H -1.052 4.020 0.346 H -6.377 1.455 -0.649 H -7.979 -0.360 1.147 H -7.234 -0.696 -0.400 H -6.453 1.732 2.377 H 3.486 -5.937 -3.916 H 2.128 -6.621 -2.994 H 3.691 -7.459 -3.033 H 7.091 -1.457 0.953 H -6.759 3.883 1.475 H 1.470 -5.409 -0.871 H -3.077 -1.816 -1.609 H -3.040 -2.257 0.107 H -4.546 -2.363 -0.804 H -5.341 -1.607 3.292 H -7.081 -1.612 2.974 H -6.253 -0.095 3.341 H -1.830 -1.109 1.501 H -0.241 -0.387 1.643 H -1.680 0.559 2.052 H 5.219 -9.084 0.041 H 5.602 -7.458 0.603 H 5.530 -7.803 -1.129 H 0.352 4.701 2.333 H -1.358 4.547 2.798 H -0.202 3.273 3.217 H -8.764 2.011 1.188 H -8.181 3.040 -0.132 H -8.903 1.466 -0.488 H -4.091 3.742 0.022 H -5.611 3.450 -0.814 H -1.861 1.097 -2.315 H -4.910 5.832 -1.081 H -4.895 6.022 0.683 H -6.424 5.740 -0.171 charges.txt