From owner-chemistry@ccl.net Fri Oct 3 03:03:00 2008 From: "Frank Neese neese|-|thch.uni-bonn.de" To: CCL Subject: CCL: reguiring about semiempirical ZINDO_2 optimization by ORCA Message-Id: <-37836-081003022034-21180-wtWlVHk+9omoiCTBm+CnrA _ server.ccl.net> X-Original-From: Frank Neese Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-15; format=flowed Date: Fri, 03 Oct 2008 07:20:03 +0200 MIME-Version: 1.0 Sent to CCL by: Frank Neese [neese*thch.uni-bonn.de] Dear gentlemen, try ! ZINDO/2 Opt TightSCF SmallPrint * xyz 0 1 ... * but i recommend ! ZNDDO/1 Opt TightSCF SmallPrint * xyz 0 1 ... * best regards, FN