%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 F 1.823 -2.273 2.961 O -4.121 0.817 -2.082 O -2.095 2.316 -1.206 H -1.120 2.583 -1.060 O -4.396 2.361 0.446 O 0.281 2.319 -0.520 O -6.309 -1.920 1.270 O 2.922 1.927 -0.393 O -7.697 0.394 2.011 O 5.812 -1.034 -0.195 N -5.709 -1.383 -1.889 H -5.494 -0.404 -2.153 N -6.322 2.177 2.278 N 5.003 0.754 0.993 N 8.239 -0.061 -0.531 H 7.850 -1.017 -0.578 C -3.495 -1.034 -0.703 C -3.578 0.494 -0.782 C -2.640 -1.459 0.508 C -1.192 -0.982 0.353 C -4.898 -1.636 -0.603 C -1.114 0.454 -0.121 C -2.188 1.105 -0.680 C -0.386 -1.135 1.648 C -4.555 1.132 0.270 C -5.665 -1.086 0.622 C -5.579 0.331 0.870 C 0.155 1.156 -0.053 C 1.023 -0.626 1.463 C 1.296 0.475 0.616 C -7.192 -1.521 -1.698 C -5.247 -2.256 -3.019 C 2.080 -1.228 2.136 C 2.634 0.912 0.449 C -6.618 0.947 1.754 C 3.666 0.266 1.156 C 3.392 -0.803 2.005 C 9.721 -0.118 -0.214 C 8.167 0.505 -1.935 C 10.395 -0.447 -1.559 C 9.315 -0.203 -2.652 C 7.393 0.628 0.484 C 5.984 0.031 0.389 H -2.990 -1.387 -1.610 H -2.659 -2.548 0.609 H -3.068 -1.042 1.427 H -0.709 -1.617 -0.406 H -4.856 -2.721 -0.493 H -0.358 -2.180 1.965 H -0.876 -0.571 2.454 H -4.169 1.785 -2.137 H -7.409 -2.523 -1.331 H -7.532 -0.778 -0.981 H -7.670 -1.357 -2.663 H -4.183 -2.108 -3.184 H -5.450 -3.295 -2.761 H -5.798 -1.976 -3.916 H 4.186 -1.296 2.553 H -5.586 2.702 1.812 H -7.106 2.672 2.680 H 5.275 1.574 1.527 H 9.997 0.871 0.156 H 9.877 -0.854 0.573 H 7.175 0.313 -2.342 H 8.329 1.582 -1.848 H 3.889 2.010 -0.444 H 10.740 -1.482 -1.579 H 11.266 0.196 -1.699 H 9.685 0.406 -3.478 H 8.969 -1.153 -3.070 H 7.803 0.421 1.476 H 7.419 1.704 0.310 charges.txt