%NProcShared=64 %Mem=54Gb #B3LYP/6-31G(d,p) SCF=Tight Pop=(ESP,Dipole,Regular,ReadRadii) Iop(6/33=2) Iop(6/42=6) Iop(6/50=1) gfinput partial charges 0 1 As -1.738 0.451 1.258 O -0.122 0.953 1.750 H 0.444 0.164 1.795 O -1.881 0.931 -0.431 H -1.785 0.139 -0.985 O -2.017 -1.147 1.500 C -2.802 1.790 2.101 C -3.967 2.245 1.473 C -4.769 3.193 2.100 H -5.672 3.564 1.634 C -4.381 3.666 3.352 N -5.225 4.670 4.020 O -6.243 5.047 3.438 O -4.869 5.080 5.125 C -3.226 3.229 3.995 C -2.431 2.280 3.358 H -4.244 1.871 0.494 H -2.960 3.627 4.966 H -1.522 1.934 3.836 As 1.85 charges.txt