CCL: electronic structure determination

From: "Antzerina Krisilia" <antz.kris+/-gmail.com>
Subject: CCL: electronic structure determination
Date: Thu, 29 Sep 2011 22:55:39 -0400

 Sent to CCL by: "Antzerina  Krisilia" [antz.kris|a|gmail.com]
 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.
 Antzerina