%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 1.743 4.414 -3.101 O -0.481 1.933 1.731 O -0.467 1.245 -1.505 O -2.870 2.824 -1.400 O -2.919 0.357 -0.384 O 0.590 6.738 -2.039 O -2.026 -2.307 2.257 O -0.808 -3.673 3.600 O 3.887 -8.103 -2.435 O 3.389 -6.818 -4.225 C 1.345 3.501 -2.050 C 2.505 4.406 -1.862 C -0.071 3.653 -1.523 C -0.557 2.447 -0.698 C 2.620 5.711 -1.052 C -2.032 2.627 -0.269 C 0.300 2.194 0.567 C -2.525 1.391 0.526 C -1.445 0.900 1.525 C 1.988 6.919 -1.792 C 2.174 5.556 0.411 C -2.044 0.514 2.884 C 2.150 8.237 -1.043 C -1.032 -0.048 3.860 C -0.381 0.970 4.760 C -0.682 -1.348 3.979 C -1.168 -2.549 3.274 C -2.596 -3.438 1.543 C -2.343 -3.280 0.049 C -0.864 -3.330 -0.373 C -0.109 -4.634 -0.058 C -0.666 -5.881 -0.760 C 0.132 -7.170 -0.491 C 1.573 -7.200 -1.029 C 1.699 -7.094 -2.551 C 3.129 -7.355 -3.113 H 1.598 2.467 -2.289 H 3.468 3.909 -1.991 H -0.741 3.735 -2.389 H -0.194 4.577 -0.955 H 3.696 5.927 -1.030 H -2.104 3.514 0.370 H 0.981 1.356 0.363 H 0.892 3.074 0.815 H -3.442 1.666 1.056 H -0.949 0.020 1.089 H 2.513 7.005 -2.755 H 1.086 5.522 0.509 H 2.588 4.641 0.846 H 2.534 6.392 1.016 H -0.925 1.436 -2.339 H -2.840 -0.206 2.691 H -2.496 1.414 3.318 H -3.277 1.955 -1.567 H 1.788 9.061 -1.664 H 3.200 8.425 -0.799 H 1.573 8.235 -0.114 H -2.105 0.113 -0.862 H 0.552 6.017 -2.688 H 0.371 0.526 5.415 H 0.084 1.754 4.152 H -1.139 1.464 5.382 H 0.058 -1.612 4.729 H -3.669 -3.421 1.756 H -2.171 -4.356 1.948 H -2.914 -4.068 -0.457 H -2.776 -2.326 -0.274 H -0.815 -3.143 -1.454 H -0.336 -2.493 0.101 H -0.093 -4.803 1.028 H 0.938 -4.490 -0.351 H -1.702 -6.048 -0.439 H -0.714 -5.693 -1.841 H -0.419 -8.015 -0.926 H 0.151 -7.348 0.594 H 2.053 -8.136 -0.722 H 2.165 -6.403 -0.559 H 1.028 -7.833 -3.019 H 1.364 -6.117 -2.916 charges.txt