%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 S 3.575 0.253 -1.167 O 0.060 -0.502 0.474 O -4.492 3.311 0.802 O -4.516 -3.279 1.138 O 0.710 0.823 -1.255 N 7.956 0.090 0.099 H 8.896 -0.196 0.389 C -4.437 -0.109 -0.498 C -3.723 -0.986 0.590 C -2.227 -1.376 0.353 C -3.963 1.383 -0.593 C -2.167 -2.106 -1.035 C -4.251 -0.849 -1.851 C -5.933 -0.190 -0.070 C -1.347 -0.078 0.371 C -2.805 -1.258 -2.154 C -4.737 -2.132 0.794 C -3.798 2.059 0.810 C -6.136 -1.601 0.498 C -2.313 2.264 1.292 C -1.583 0.903 1.545 C -1.750 -2.309 1.493 C -4.869 2.217 -1.522 C -0.792 -2.624 -1.490 C -2.360 2.965 2.665 C -1.526 3.085 0.283 C 0.960 0.047 -0.352 C -1.083 4.336 0.429 C 6.999 -0.427 1.178 C 7.584 -0.799 -1.092 C 5.111 -0.549 -0.532 C 5.572 0.012 0.830 C 6.201 -0.390 -1.613 C 2.350 -0.445 0.002 C 7.233 -1.947 1.062 C 7.613 -2.192 -0.432 C 8.033 1.567 -0.126 H -3.794 -0.464 1.555 H -2.989 1.380 -1.085 H -2.803 -2.992 -0.903 H -4.862 -1.761 -1.836 H -4.652 -0.246 -2.672 H -6.598 0.017 -0.913 H -6.146 0.562 0.697 H -1.421 0.437 -0.581 H -2.185 -0.375 -2.356 H -2.790 -1.840 -3.084 H -4.274 1.423 1.568 H -6.731 -1.623 1.418 H -6.622 -2.288 -0.201 H -0.593 1.160 1.934 H -2.089 0.389 2.369 H -1.939 -1.859 2.474 H -0.680 -2.502 1.421 H -2.288 -3.254 1.459 H -5.879 2.330 -1.125 H -4.935 1.761 -2.513 H -4.454 3.219 -1.645 H -0.929 -3.312 -2.332 H -0.145 -1.817 -1.843 H -0.265 -3.169 -0.703 H -2.806 3.960 2.598 H -1.355 3.082 3.079 H -2.949 2.376 3.378 H -1.285 2.584 -0.653 H -4.713 3.529 1.715 H -1.252 4.924 1.325 H -0.520 4.821 -0.364 H 7.314 -0.008 2.134 H 8.345 -0.664 -1.862 H 4.884 -1.613 -0.424 H 5.497 1.103 0.842 H 4.922 -0.350 1.631 H 5.971 -1.026 -2.472 H 6.234 0.637 -1.991 H 8.045 -2.255 1.723 H 6.340 -2.496 1.365 H 6.922 -2.869 -0.937 H 8.612 -2.625 -0.512 H 2.569 -0.145 1.031 H 2.362 -1.539 -0.036 H 8.344 2.035 0.807 H 7.068 1.960 -0.433 H 8.774 1.752 -0.902 charges.txt