CCL: Problem with Freq calculation with large basis set and multi-step job



 Sent to CCL by: Cheri A McFerrin [cmcfer1 : lsu.edu]
 tanguy
 1. put a # sign before u in ubmk.
 2.  remove SP, it's not necessary.
 3.  remove scf=tight, this is only for optimizations.
 4.  try it again.
 cheri
 "Tanguy Van Regemorter tanguy.vr#%#yucom.be"
 <owner-chemistry^ccl.net>^ccl.net on 01/30/2007 08:21:20
 Please respond to "CCL Subscribers" <chemistry^ccl.net>
 Sent by:    owner-chemistry^ccl.net
 To:   "McFerrin, Cheri Ann " <cmcfer1^lsu.edu>
 cc:
 Subject:    CCL: Problem with Freq calculation with large basis set and
 multi-step job
 Sent to CCL by: "Tanguy  Van Regemorter" [tanguy.vr()yucom.be]
 Hello everybody,
 I would like to perform a frequency analysis with a rather large basis set.
 In order to win time, I am using a multi-steps job where I am optimize
 first the geometry with a lower basis set then I perform a single point
 calculation with a large basis set.
 Unfortunatly, when I try to run the program, I obtain the following error
 message:
 "Illegal IType or MSType generated by parse."
 To run the second step, I am writing that:
 --link1--
 %Chk=CH3
 ubmk/6-311+g(3df,2p) Freq SP Guess=Read Geom=AllCheck SCF=Tight
 Does anybody know what I am doing wrong ?
 Thank you very much !
 Best Regards
 Tanguy Van Regemorterhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp-:-//www.ccl.net/chemistry/sub_unsub.shtmlhttp-:-//www.ccl.net/spammers.txt