%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 -1.291 2.465 -2.025 O -2.433 -1.112 -0.610 O 1.927 -0.927 0.399 O -3.809 1.328 -0.332 O -4.704 -1.299 -0.026 O 2.565 -2.448 2.034 O 2.997 1.686 -0.882 O 5.452 -3.447 1.111 O -2.832 -3.448 -1.610 O 5.831 -0.684 2.226 O 3.915 3.991 -1.552 O 1.459 3.045 -2.939 O -0.675 5.068 0.206 O 3.285 0.023 -2.273 N -5.347 -3.938 1.107 H -5.609 -2.963 1.297 C -1.715 0.089 -0.178 C -0.419 -0.284 0.595 C -2.616 1.228 0.438 C 0.726 -0.734 -0.362 C -1.874 2.594 0.336 C 1.011 0.285 -1.521 C -1.747 3.344 -1.012 C -3.377 -1.806 0.153 C 2.368 -2.272 0.656 C 4.969 -2.215 0.529 C -0.608 -1.333 1.703 C -3.297 -3.301 -0.283 C 3.629 -2.613 -0.151 C -4.705 -3.936 -0.289 C -2.985 1.047 1.924 C 4.639 -1.153 1.597 C 0.233 4.944 -2.002 C 2.592 4.081 -0.999 C -5.592 -3.182 -1.298 C 1.624 4.264 -2.215 C 3.599 -1.637 2.641 C -0.691 4.469 -0.860 C -5.287 -1.669 -1.315 C 2.292 2.762 -0.196 C 2.490 0.642 -1.593 C 0.568 -0.274 -2.883 C -3.068 3.959 -1.489 C 5.946 -1.658 -0.515 C -0.478 5.070 -3.364 C 2.587 5.343 -0.130 C 2.755 2.722 1.266 C 4.160 -2.446 3.803 C -6.519 -0.809 -1.524 C -6.600 -4.775 1.153 C -4.428 -4.392 2.212 C 4.271 2.781 1.494 C 6.804 -3.501 1.558 H -1.443 0.497 -1.147 H -0.057 0.634 1.074 H 0.442 -1.689 -0.821 H -0.878 2.474 0.769 H -2.383 3.293 1.004 H 0.455 1.203 -1.351 H -3.191 -1.710 1.222 H 1.559 -2.960 0.390 H -1.363 -1.037 2.433 H -0.892 -2.305 1.286 H 0.331 -1.478 2.240 H -2.625 -3.827 0.404 H 3.541 -2.148 -1.134 H 3.661 -3.697 -0.293 H -4.613 -4.990 -0.559 H -3.522 0.115 2.110 H -2.107 1.074 2.575 H -3.648 1.865 2.216 H 4.177 -0.327 1.042 H 0.483 5.955 -1.667 H -5.402 -3.602 -2.286 H -6.651 -3.348 -1.090 H 2.153 4.985 -2.854 H 3.112 -0.737 3.047 H -4.541 -1.451 -2.083 H 1.219 2.572 -0.225 H -4.322 0.515 -0.172 H 0.691 0.480 -3.664 H 1.161 -1.152 -3.149 H -0.485 -0.564 -2.854 H -3.411 4.700 -0.763 H -3.816 3.172 -1.570 H -2.943 4.449 -2.455 H 5.487 -0.814 -1.035 H 6.176 -2.430 -1.257 H 6.877 -1.316 -0.059 H -1.338 5.742 -3.296 H 0.216 5.499 -4.093 H -0.807 4.102 -3.737 H 1.638 5.487 0.387 H 2.764 6.214 -0.769 H 3.394 5.305 0.603 H 2.258 3.539 1.800 H 2.366 1.793 1.697 H 4.618 -3.367 3.441 H 3.350 -2.698 4.495 H 4.908 -1.865 4.347 H -7.231 -0.946 -0.705 H -6.254 0.250 -1.590 H -7.011 -1.094 -2.459 H -2.215 -2.711 -1.755 H 5.609 0.113 2.727 H 4.107 3.046 -1.664 H 2.275 2.895 -3.435 H -7.045 -4.659 2.139 H -7.301 -4.443 0.394 H -6.321 -5.815 0.982 H -4.036 -5.376 1.958 H -3.618 -3.680 2.344 H -5.009 -4.447 3.131 H 4.769 1.906 1.066 H 4.726 3.665 1.042 H 4.485 2.800 2.567 H 6.933 -4.495 1.997 H 7.024 -2.743 2.314 H 7.517 -3.398 0.731 charges.txt