%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 +2 1 O 2.534 -0.081 0.226 O -0.479 -1.183 -1.608 O 4.283 -0.319 -1.238 O -0.530 1.543 -2.190 O -3.797 2.087 0.637 O 4.308 1.128 2.168 O -6.344 -0.552 0.928 O -4.556 -0.706 -1.244 O -3.622 1.988 -1.620 N -2.519 -2.657 -0.324 H -1.962 -1.820 -0.568 N 7.033 0.688 1.831 H 6.418 1.020 2.588 C 1.380 0.142 -0.618 C 0.801 -1.289 -0.945 C 0.447 1.190 0.074 C 0.541 -2.108 0.335 C -0.127 -3.501 0.124 C -0.814 1.486 -0.787 C 3.757 0.455 -0.172 C 4.706 0.362 1.038 C 6.126 0.763 0.603 C -1.611 -3.531 0.525 C 1.764 -2.014 -1.897 C -3.780 -2.208 0.460 C -1.702 2.691 -0.317 C -5.038 0.008 1.082 C -4.086 -0.744 0.093 C 6.607 -0.025 -0.612 C 1.245 2.449 0.453 C 5.558 0.137 -1.726 C -5.139 1.502 0.622 C 0.592 -4.580 0.955 C -3.141 2.249 -0.526 C -4.931 -3.194 0.298 C -1.433 4.009 -1.062 C -4.550 -0.106 2.531 C -6.032 2.395 1.479 C -2.808 -3.281 -1.662 C 5.883 -0.677 -2.967 C 8.198 1.632 1.744 C 7.490 -0.694 2.202 C -6.273 3.772 0.851 H 1.719 0.569 -1.568 H 0.075 0.753 1.009 H 1.506 -2.246 0.828 H -0.063 -1.510 1.029 H -0.047 -3.796 -0.926 H -1.432 0.596 -0.710 H 3.653 1.502 -0.503 H 4.679 -0.682 1.365 H 6.112 1.828 0.351 H -1.710 -3.183 1.556 H -2.012 -4.545 0.469 H 1.357 -2.987 -2.181 H 2.744 -2.152 -1.443 H 1.898 -1.430 -2.813 H -3.448 -2.216 1.497 H -1.559 2.834 0.757 H -3.126 -0.218 0.178 H 7.578 0.341 -0.961 H 6.701 -1.090 -0.383 H 1.698 2.938 -0.417 H 2.040 2.189 1.153 H 0.608 3.181 0.955 H 5.476 1.202 -1.994 H -5.505 1.506 -0.405 H 1.645 -4.637 0.665 H 0.551 -4.347 2.025 H 0.146 -5.568 0.804 H -0.441 -0.468 -2.269 H -4.619 -4.213 0.540 H -5.723 -2.903 0.987 H -5.348 -3.173 -0.710 H -1.643 3.896 -2.127 H -2.072 4.804 -0.669 H -0.396 4.328 -0.939 H -5.187 0.482 3.197 H -3.528 0.265 2.638 H -4.588 -1.141 2.880 H -5.591 2.516 2.474 H -6.990 1.880 1.610 H -3.470 -2.611 -2.205 H -1.863 -3.382 -2.191 H -3.269 -4.256 -1.518 H 0.111 2.247 -2.367 H 6.836 -0.354 -3.393 H 5.953 -1.741 -2.721 H 5.103 -0.544 -3.720 H 4.217 2.059 1.911 H -6.825 -0.437 1.759 H -4.341 0.170 -1.614 H 8.836 1.331 0.914 H 8.753 1.579 2.680 H 7.822 2.642 1.589 H 6.635 -1.367 2.233 H 7.950 -0.641 3.187 H 8.218 -1.036 1.468 H -6.925 4.376 1.490 H -6.752 3.683 -0.130 H -5.334 4.318 0.721 charges.txt