From owner-chemistry@ccl.net Sun Apr 6 03:42:00 2014 From: "M Shabbir shabbir193rb++gmail.com" To: CCL Subject: CCL: charge for transition metal complexes Message-Id: <-49896-140406034117-19055-wB81pc24DuBRxegz3oKD+Q*_*server.ccl.net> X-Original-From: "M Shabbir" Date: Sun, 6 Apr 2014 03:41:15 -0400 Sent to CCL by: "M Shabbir" [shabbir193rb*o*gmail.com] Dear CCL colleagues, I have a simple question about transition metal complexes bc first time I am dealing such complexes. I want to optimize a Copper metal (Cu plus 2 oxidation state) complex with some neutral ligand in G09. What should be the overall charge of Ligand-metal complex? Plus 2 or neutral.. Thanks in advance! Dr.Shabbir