Subject: SAC-CI in Gaussian03

From: <[email-masked]>
Date: Fri, 16 May 2003 08:59:11 +0200 (CEST)

Dear CCLers,
I have a problem with using SAC-CI method included in Gaussian03 suite.
I am interested in geometry optimization of the ground state using this
method, but until now all of my tries of preparing an appropriate input
failed. My input looked like this:

%chk=/tmp1/ucmakows/benosnz_sac
#P SAC-CI(SACOnly)/cc-pVDZ opt GFinput IOP(6/7=3) Guess(Read)
Geom=AllCheck

where checkpoint file is from previous RHF optimization

It resulted in:

Must specify TargetState for gradients.
 Error termination via Lnk1e in /usr_ext1/gaussian03/g03/l923.exe at Thu
May 15
16:46:24 2003.
 Job cpu time:  0 days  0 hours 32 minutes  4.5 seconds.
 File lengths (MBytes):  RWF=   7059 Int=      0 D2E=      0 Chk=      8
Scr=
   1

> From my previous experiments it looked like that TargetState option is
addressed to excited states not a ground(reference) one.

May anyone give any suggestion what the route section should be?

Thanks in advance,

-- 
Marcin Makowski
Ph.D. student in Theoretical Chemistry,
Jagellonian University