CCL:G: Transition state using ROCBS-QB3
- From: "bonoit bonoit" <bonoit_10(!)yahoo.fr>
- Subject: CCL:G: Transition state using ROCBS-QB3
- 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