Energy Eh [FeCl6]3- [Fe(CN)6]3- [Fe(CN)6]4-
  Kimball Gamess Kimball Gamess Kimball Gamess
Etot -4006.15 -4000.84 -1823.225 -1807.075 -1810.437 -1806.556
Vne -11660.4 -11905.97 -5629.431 -5964.737 -5616.436 -5966.573
Vnn 1166.57 1167.06 535.290 822.304 530.365 809.841
Vee 2481.51 2754.21 1447.692 1533.577 1465.197 1547.292
Fe-C Å 2.512 2.511 2.250 2.243 2.273 2.286
C-N Å     1.150 1.154 1.152 1.161