%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 1.495 3.506 -1.279 O -0.371 2.064 0.477 O 4.273 1.143 -1.532 O -2.395 1.429 1.494 O 3.996 -1.066 0.244 O 0.091 -1.046 0.492 O 5.627 -1.126 1.922 O -6.032 -0.902 -0.643 O 3.342 -0.068 2.783 O -2.611 -3.195 -1.161 O -1.495 -1.324 -1.748 O -6.468 -1.944 1.325 C 2.888 3.113 -1.219 C -0.420 3.496 0.240 C 1.019 4.003 -0.015 C 2.918 1.569 -1.318 C -1.007 1.705 1.703 C 3.366 3.564 0.184 C 2.079 3.596 1.016 C -1.015 4.109 1.537 C 2.087 0.811 -2.376 C -0.936 2.974 2.563 C 4.263 -0.233 -1.966 C 2.793 -0.565 -2.316 C -0.302 0.495 2.334 C 4.884 -1.121 -0.880 C -2.648 0.241 0.706 C -2.170 -0.994 1.499 C 3.663 3.836 -2.322 C -1.299 3.780 -0.981 C -0.645 -0.862 1.701 C 5.127 -2.583 -1.295 C 2.061 1.379 -3.800 C -4.142 0.257 0.327 C 5.615 -3.362 -0.062 C 4.695 -3.210 1.162 C 4.440 -1.714 1.438 C -2.920 -1.185 2.827 C -4.583 -1.019 -0.440 C 6.122 -2.723 -2.455 C -4.513 1.544 -0.428 C 5.257 -3.975 2.367 C 3.301 -1.460 2.438 C -3.917 -1.288 -1.812 C -4.790 -2.166 -2.722 C -2.552 -2.008 -1.561 C -6.848 -1.406 0.301 C -8.302 -1.214 -0.087 C -9.282 -1.768 0.943 H 0.959 5.102 -0.077 H 2.578 1.187 -0.345 H 3.809 4.563 0.122 H 4.123 2.886 0.587 H 1.850 2.603 1.407 H 2.135 4.294 1.855 H -2.056 4.398 1.366 H -0.476 5.005 1.855 H 1.059 0.723 -2.015 H 0.018 2.989 3.097 H -1.740 2.995 3.302 H 4.907 -0.285 -2.851 H 2.352 -1.175 -1.525 H 2.712 -1.115 -3.258 H -0.605 0.466 3.388 H 0.782 0.643 2.317 H 5.847 -0.671 -0.594 H -2.060 0.311 -0.211 H -2.323 -1.893 0.895 H 3.281 3.608 -3.317 H 4.718 3.550 -2.288 H 3.590 4.917 -2.167 H -0.904 3.277 -1.865 H -1.332 4.856 -1.185 H -2.317 3.432 -0.796 H -0.326 -1.644 2.408 H 4.160 -3.005 -1.605 H 3.069 1.500 -4.212 H 1.555 2.347 -3.839 H 1.518 0.693 -4.460 H -4.717 0.246 1.261 H 5.707 -4.426 -0.312 H 6.623 -3.015 0.204 H 3.714 -3.633 0.901 H -2.922 -0.269 3.424 H -2.457 -1.978 3.423 H -3.961 -1.471 2.650 H -4.435 -1.901 0.185 H 7.071 -2.226 -2.222 H 5.740 -2.298 -3.387 H 6.341 -3.780 -2.642 H -3.921 1.663 -1.341 H -4.326 2.414 0.205 H -5.569 1.539 -0.707 H -0.504 -1.233 -0.274 H 4.578 -3.960 3.225 H 5.423 -5.024 2.101 H 6.212 -3.548 2.685 H 3.447 -2.079 3.327 H 2.345 -1.715 1.969 H -3.715 -0.340 -2.319 H 5.334 -0.288 2.322 H -4.992 -3.127 -2.240 H -5.741 -1.686 -2.962 H -4.264 -2.370 -3.661 H 3.051 0.024 3.699 H -8.460 -0.141 -0.250 H -8.446 -1.683 -1.068 H -10.311 -1.605 0.613 H -9.153 -1.280 1.913 H -9.135 -2.842 1.088 charges.txt