CCL:G: Metal oxidation states and charge separation

["Richard Andrew Huhn" <huhnra()mit.edu>]

 Sent to CCL by: "Richard Andrew Huhn" [huhnra#%#mit.edu]
 I have a crystal structure with two metal-ligand complexes in the unit cell. It
 is of the type L-M-L L'-M-L'. We are unsure of the oxidation states of the
 metal: it may be, for example, L-M(0)-L L'-M(II)-L', or L-M(I)-L[+]
 L'-M(I)-L'[-].
 Are comparisons possible of DFT energies / geometries for these two hypothetical
 species, and if so, how does one specify in G03 the charge separation in the
 latter species? Literature references to similar calculations would be helpful!
 Thank you for your help,
 Rich Huhn