From owner-chemistry@ccl.net Thu Sep 15 08:54:02 2005 From: "CCL" To: CCL Subject: CCL: transition metals Message-Id: <-29178-050915082731-2890-ETc9kVj+VqHwexQEb/3djg()server.ccl.net> X-Original-From: "Shireen Al Falah" Content-Type: text/plain; format=flowed Date: Thu, 15 Sep 2005 13:40:23 +0200 Mime-Version: 1.0 Sent to CCL by: "Shireen Al Falah" [shireenfalah()hotmail.com] Hi, I have used BP86 for chrmoium and it was good. I think you can use it. Actually the DZ basis was compareble to the cc-pvdz. regards