%NProcShared=64 %Mem=64Gb #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 Cl -4.921939 -1.098981 -1.088356 S -0.078037 1.775793 1.759871 N 0.132525 -0.060616 -0.562804 N 2.469260 -2.643621 0.842543 C 0.481247 -1.285690 -1.287803 C 0.252353 -2.559284 -0.453001 C 0.950476 -2.588350 0.904063 C -1.205398 0.146650 -0.148601 C 0.963036 1.087441 -0.693416 C -1.462389 1.023024 0.924762 C 0.951068 2.057047 0.326844 C -2.288761 -0.487191 -0.775043 C 1.790340 1.298858 -1.806162 C -2.767878 1.255537 1.355296 C 1.756083 3.193725 0.243970 C 2.987402 -3.930979 0.266141 C 3.063336 -2.384248 2.199722 C -3.580435 -0.267111 -0.300074 C 2.621814 2.418902 -1.867590 C -3.843587 0.595468 0.759506 C 2.611499 3.367371 -0.845400 H 2.787107 -1.883402 0.234843 H -0.059140 -1.381302 -2.238544 H 1.535384 -1.205963 -1.558866 H -0.812474 -2.676687 -0.232251 H 0.522135 -3.425058 -1.064813 H 0.646135 -3.463073 1.481272 H 0.708224 -1.689929 1.473632 H -2.137464 -1.141741 -1.623506 H 1.785351 0.596864 -2.631995 H -2.946848 1.943824 2.174863 H 1.720295 3.931560 1.039417 H 2.662455 -4.746768 0.911068 H 2.594680 -4.063834 -0.739197 H 4.074638 -3.882670 0.234368 H 2.729133 -3.169891 2.876633 H 4.148626 -2.394785 2.112419 H 2.722351 -1.410603 2.548600 H 3.264933 2.553444 -2.731593 H -4.856139 0.754678 1.110016 H 3.251482 4.242041 -0.897463 charges.txt