CCL: electronic structure determination

 Sent to CCL by: "Antzerina  Krisilia" [antz.kris|a|]
 Dear all:
 I have one metal complex with redox active ligand. Now for the native state two
 configurations are possible M(II)-L(0) or M(I)-L(+). Anybody can Suggest which
 is the actual one or the major one? I have optimized the structure and
 calculated the single point energy and NBO.
 Thanks in advanced.