%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 2.270 2.513 1.078 O 1.991 3.782 -0.781 O 2.436 -0.475 1.640 O 1.238 -2.461 1.660 O -0.742 0.574 0.496 O 3.737 5.397 -2.991 O 5.148 -3.753 0.993 O 4.799 7.449 -2.571 O -2.738 1.164 -0.471 O 1.404 6.670 -3.737 O -6.177 -0.037 -0.174 O -2.747 -3.017 -0.810 O -7.044 -3.998 -2.504 O -5.999 -5.597 -3.709 C 1.473 2.626 -0.119 C 1.846 1.842 2.280 C 0.004 2.902 0.239 C 2.731 0.593 2.570 C 1.806 1.446 -1.077 C -0.561 1.827 1.183 C 2.878 3.418 -1.861 C 0.316 1.623 2.429 C 3.158 1.929 -1.642 C 2.260 -1.737 2.313 C 2.426 0.005 3.984 C 1.776 -1.360 3.717 C 4.092 4.355 -2.035 C 3.569 -2.549 2.305 C 4.784 4.981 -0.812 C -0.177 4.296 0.868 C 4.211 0.975 2.438 C 0.790 1.207 -2.205 C 3.935 -3.004 0.897 C 1.537 -2.874 0.308 C 2.771 -3.806 0.268 C 3.915 6.069 -0.148 C 2.990 6.813 -1.139 C 3.565 6.748 -2.561 C 0.208 -3.370 -0.303 C 5.305 3.964 0.205 C -2.071 0.149 0.285 C 2.604 -5.189 0.913 C 2.694 8.239 -0.659 C 2.651 7.340 -3.647 C -2.821 -0.213 1.570 C 0.425 -3.898 -1.737 C -0.531 -4.357 0.582 C -4.274 -0.664 1.279 C -4.179 1.215 -0.439 C -4.761 -0.165 -0.095 C -1.814 -4.764 0.500 C -4.666 2.346 0.467 C -2.751 -4.219 -0.544 C -2.354 -5.768 1.499 C -3.726 -5.121 -1.307 C -6.877 -1.275 -0.218 C -5.049 -5.303 -0.517 C -3.118 -6.445 -1.802 C -6.200 -5.928 -1.336 C -7.464 -6.024 -0.472 C -6.446 -5.104 -2.636 H 2.139 2.542 3.074 H -0.583 2.864 -0.681 H 1.912 0.537 -0.484 H -1.541 2.179 1.515 H 2.320 3.528 -2.801 H 0.112 0.619 2.802 H -0.041 2.317 3.195 H 3.962 1.780 -0.917 H 3.435 1.425 -2.572 H 1.780 0.660 4.574 H 3.357 -0.111 4.546 H 0.685 -1.290 3.683 H 2.040 -2.112 4.463 H 4.837 3.753 -2.572 H 4.384 -1.958 2.731 H 3.437 -3.426 2.948 H 5.651 5.494 -1.245 H -1.228 4.459 1.127 H 0.128 5.076 0.168 H 0.418 4.414 1.779 H 4.853 0.133 2.710 H 4.441 1.276 1.416 H 4.454 1.810 3.104 H 0.618 2.104 -2.809 H -0.170 0.881 -1.806 H 1.166 0.427 -2.876 H 4.103 -2.110 0.277 H 1.811 -1.979 -0.266 H 3.019 -3.955 -0.792 H 3.295 5.623 0.634 H 4.585 6.787 0.340 H 2.046 6.263 -1.199 H -0.417 -2.477 -0.381 H 4.483 3.444 0.699 H 5.960 3.221 -0.265 H 5.893 4.478 0.974 H -1.964 -0.751 -0.330 H 2.228 -5.123 1.938 H 1.914 -5.817 0.344 H 3.572 -5.695 0.946 H 2.344 8.216 0.378 H 3.595 8.859 -0.697 H 1.916 8.725 -1.256 H 3.200 7.294 -4.602 H 2.445 8.391 -3.431 H -2.258 -1.007 2.069 H -2.821 0.649 2.243 H 5.418 -3.985 0.093 H 0.997 -3.178 -2.332 H 0.964 -4.850 -1.744 H -0.534 -4.050 -2.236 H 5.200 7.304 -3.442 H 0.053 -4.803 1.381 H -4.342 -1.754 1.313 H -4.949 -0.274 2.048 H -4.482 1.450 -1.467 H -4.417 -0.871 -0.867 H 1.631 5.730 -3.809 H -4.201 3.288 0.161 H -4.419 2.170 1.518 H -5.751 2.452 0.384 H -1.580 -6.034 2.223 H -3.205 -5.358 2.056 H -2.700 -6.692 1.026 H -3.971 -4.522 -2.190 H -6.758 -1.850 0.711 H -7.936 -1.031 -0.337 H -6.563 -1.904 -1.062 H -4.872 -5.919 0.373 H -5.377 -4.318 -0.163 H -3.762 -6.848 -2.587 H -2.122 -6.292 -2.230 H -3.033 -7.196 -1.011 H -5.903 -6.938 -1.640 H -7.828 -5.022 -0.229 H -8.266 -6.549 -1.003 H -7.276 -6.564 0.464 charges.txt