From owner-chemistry #at# ccl.net Wed Jan 23 11:24:01 2013 From: "bonoit bonoit bonoit_10],[yahoo.fr" To: CCL Subject: CCL:G: Transition state using ROCBS-QB3 Message-Id: <-48118-130123093728-7436-rhXaKTe4N1/tpXOmN6VPyQ|,|server.ccl.net> X-Original-From: "bonoit bonoit" Date: Wed, 23 Jan 2013 09:37:26 -0500 Sent to CCL by: "bonoit bonoit" [bonoit_10(~)yahoo.fr] Dear CClers, Ive some troubles using the method ROCBS-QB3 in Gaussian 09. When I launch the transition state calculation, after just a while I get this message: ****************************************** Gaussian 09: IA32W-G09RevA.02 11-Jun-2009 14-Jan-2013 ****************************************** ----------------------------------------------------- # opt=(calcfc,ts,noeigentest, maxcycle=500) rocbs-qb3 ----------------------------------------------------- No analytic 2nd derivatives for this method. Error termination via Lnk1e in C:\G09W\l1.exe at Mon Jan 14 17:16:18 2013. Job cpu time: 0 days 0 hours 0 minutes 1.0 seconds. File lengths (MBytes): RWF= 1 Int= 0 D2E= 0 Chk= 1 Scr= 1 For information, I tried CBS-QB3 and it works very well. Could someone what is it related to? Thank you in advance Benoit