%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 0 1 F -3.181807 -2.521077 -2.038447 O 0.732602 -1.230488 0.717329 O -3.778452 2.709738 -0.074241 O -6.171194 1.325474 0.896274 O -6.142376 -0.838214 0.253948 N 2.374456 1.032250 0.501665 N 5.842854 -1.156565 1.146490 N -2.062586 -1.021613 0.127644 C 5.691522 -0.520109 -0.204298 C 4.562321 0.489742 -0.282466 C 6.032114 -1.409979 -1.368402 C 6.980473 -0.308675 -0.948770 C 4.627648 1.675102 0.700345 C 3.141943 -0.087861 -0.071954 C 3.209632 2.235590 0.613072 C -1.576246 -2.357608 -0.152679 C 0.996712 1.140910 0.360559 C -2.200277 -3.132162 -1.289986 C -0.811285 -2.613888 -1.433560 C -1.226693 0.100663 0.204344 C 0.169898 -0.003665 0.405994 C 0.374947 2.409081 0.236111 C -1.830373 1.380293 0.126678 C -3.420727 -0.845399 0.214470 C -0.998120 2.510500 0.149508 C -3.303496 1.571613 0.092579 C -4.079935 0.349108 0.265487 C 0.888906 -1.431163 2.131432 C -5.603989 0.284142 0.480453 H 6.084755 -0.468638 1.867241 H 4.983327 -1.629611 1.445550 H 6.584101 -1.863042 1.148400 H 4.613765 0.900232 -1.296367 H 6.325177 -2.435962 -1.167984 H 5.441580 -1.281282 -2.268940 H 7.049895 0.586669 -1.556818 H 7.909901 -0.595240 -0.466094 H 4.825222 1.344234 1.726712 H 5.389254 2.408235 0.427534 H 3.136463 -0.952118 0.602121 H 2.707110 -0.431264 -1.016163 H 3.114498 2.886533 -0.270066 H 2.928658 2.821046 1.493447 H -1.290850 -2.937635 0.719841 H -2.399000 -4.190987 -1.157271 H -0.692831 -1.761357 -2.095083 H 0.027369 -3.300598 -1.405329 H 0.978043 3.308221 0.225884 H -4.009321 -1.753128 0.224270 H -1.479822 3.480081 0.083569 H 1.319688 -2.426579 2.255366 H 1.562471 -0.682468 2.562938 H -0.078888 -1.385001 2.643467 charges.dat