%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 -1.131 1.346 -1.243 O -0.836 2.883 0.876 O -2.356 4.781 2.792 O -1.467 -1.254 -3.352 O 1.056 -2.144 -2.598 O 5.523 -6.950 2.383 O 3.123 -3.671 2.777 O 4.709 -5.026 3.577 C -1.029 2.762 -1.534 C -2.491 3.190 -1.737 C -3.296 2.267 -0.806 C -0.294 3.436 -0.334 C -2.458 0.955 -0.827 C -0.358 4.986 -0.286 C -0.184 2.825 -2.827 C -2.909 -0.170 -1.789 C -1.051 4.943 2.195 C -1.347 5.478 0.777 C -0.389 3.526 2.079 C -4.781 2.193 -1.165 C -4.121 -1.027 -1.307 C -1.716 -1.061 -2.163 C -0.211 5.913 3.055 C 0.046 4.190 -3.486 C 1.135 3.439 2.236 C -0.862 -1.752 -1.096 C 0.638 -1.448 -1.424 C -4.182 -1.412 0.177 C -0.898 7.241 3.390 C 1.716 -1.640 -0.313 C -1.229 -3.250 -1.074 C 2.508 -2.971 -0.280 C 1.206 -1.201 1.067 C 1.855 -4.238 0.307 C 2.844 -5.392 0.388 C 3.762 -5.590 1.453 C 2.849 -6.293 -0.684 C 4.648 -6.708 1.393 C 3.734 -7.373 -0.728 C 4.644 -7.602 0.297 C 3.846 -4.681 2.673 C 5.608 -8.761 0.280 H -2.674 4.246 -1.528 H -2.776 3.012 -2.781 H -3.209 2.663 0.209 H 0.756 3.120 -0.416 H -2.377 0.558 0.190 H 0.640 5.391 -0.082 H -0.653 5.395 -1.254 H 0.785 2.355 -2.618 H -0.693 2.168 -3.540 H -3.194 0.284 -2.745 H -1.374 6.571 0.777 H -2.355 5.142 0.521 H -0.833 2.917 2.874 H -5.342 1.565 -0.466 H -5.218 3.196 -1.120 H -4.944 1.812 -2.178 H -5.034 -0.480 -1.556 H -4.155 -1.935 -1.921 H 0.741 6.107 2.550 H 0.045 5.406 3.996 H -0.894 4.726 -3.655 H 0.521 4.049 -4.462 H 0.703 4.836 -2.898 H 1.683 4.081 1.541 H 1.434 3.715 3.250 H 1.451 2.406 2.066 H -1.096 -1.310 -0.126 H -2.226 4.533 3.719 H 0.645 -0.367 -1.624 H -5.047 -2.060 0.352 H -3.295 -1.955 0.514 H -4.298 -0.536 0.822 H -1.858 7.074 3.885 H -0.268 7.834 4.060 H -1.085 7.847 2.497 H 2.485 -0.907 -0.599 H -2.312 -3.401 -1.067 H -0.825 -3.731 -0.182 H -0.822 -3.750 -1.955 H 2.852 -3.189 -1.296 H 3.401 -2.772 0.323 H 0.448 -1.883 1.464 H 0.763 -0.199 1.025 H 2.030 -1.184 1.785 H 0.359 -1.958 -3.253 H 1.459 -4.018 1.297 H 1.034 -4.559 -0.339 H 2.145 -6.146 -1.499 H 3.712 -8.052 -1.578 H 5.485 -9.359 -0.627 H 6.649 -8.419 0.326 H 5.463 -9.418 1.146 H 5.312 -6.160 3.060 charges.txt