%NProcShared=16 %Mem=16Gb #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 6.605603 9.927245 -6.596865 O 8.464763 11.901780 -7.735238 O 7.943861 12.041769 -4.093833 O 7.497252 8.102202 -5.565201 O 9.373714 9.728621 -4.177021 O 7.301607 13.539431 -2.585298 O 6.529383 3.911872 -3.634687 O 2.467343 4.496308 -3.852978 O 6.259582 1.967156 -2.580951 O 4.122585 0.287115 -4.059294 O -1.177896 -2.248655 -1.597108 N 8.800342 14.208149 -4.171589 N 3.372818 2.098027 -2.875779 C 6.338710 11.350535 -6.703405 C 7.673836 12.134102 -6.572320 C 8.525971 11.676033 -5.366659 C 8.655343 10.147864 -5.320552 C 7.274832 9.483673 -5.426272 C 5.302619 11.798376 -5.657188 C 5.750481 11.521316 -8.105490 C 9.224160 13.023241 -8.171577 C 6.533155 7.219983 -5.118334 C 7.997472 13.299782 -3.554821 C 7.012965 6.019315 -4.575797 C 5.160847 7.493759 -5.227809 C 6.052852 5.079012 -4.160742 C 4.674495 5.326252 -4.250290 C 4.247306 6.547054 -4.786253 C 8.491261 5.758539 -4.436267 C 3.709307 4.291911 -3.814800 C 4.287192 3.082096 -3.345508 C 5.675235 2.896822 -3.130884 C 3.275723 0.815632 -3.329481 C 2.076832 0.044063 -2.849477 C 1.107698 -2.174978 -2.434960 C 2.161612 -1.354501 -2.841905 C 0.867883 0.636722 -2.454299 C 1.239245 -3.690644 -2.537358 C -0.084965 -1.547811 -2.013852 C -0.197923 -0.152069 -2.037122 C 0.629317 -4.534898 -1.426159 C 0.945103 -4.515224 -0.117167 C 1.987615 -3.607837 0.484340 C 0.268487 -5.446973 0.857443 H 8.970391 10.171975 -3.414618 H -0.891655 -3.148803 -1.351608 H 9.569503 13.927038 -4.759359 H 8.924232 15.076487 -3.671823 H 2.560721 2.489699 -2.418500 H 7.441301 13.202783 -6.475769 H 9.535617 12.091307 -5.448712 H 9.226717 9.833205 -6.197795 H 6.671866 9.673073 -4.527283 H 4.394036 11.201396 -5.776341 H 5.655166 11.699282 -4.630491 H 5.040034 12.848440 -5.818095 H 5.555970 12.577954 -8.311294 H 6.438235 11.138772 -8.859306 H 4.804174 10.977601 -8.172330 H 9.964476 13.342870 -7.425699 H 9.755231 12.711548 -9.073080 H 8.575976 13.876074 -8.412011 H 4.833815 8.420841 -5.682261 H 3.178944 6.720925 -4.860624 H 8.684601 5.057193 -3.622888 H 8.911953 5.323060 -5.351410 H 9.024299 6.692280 -4.245951 H 3.089507 -1.807455 -3.177845 H 0.730441 1.713414 -2.492294 H 0.775305 -4.007722 -3.479954 H 2.304768 -3.927088 -2.642626 H -1.136497 0.295845 -1.726876 H -0.108052 -5.269096 -1.750669 H 2.752324 -4.204590 0.997171 H 2.481919 -2.975628 -0.253973 H 1.540675 -2.957430 1.246706 H 1.005381 -6.100185 1.341838 H -0.221619 -4.883378 1.661198 H -0.481472 -6.076165 0.371188 charges.dat