Subject: QST3 in Gaussian

From: Maija Lahtela <[email-masked]>
Date: Thu, 17 Feb 2000 07:14:36 +0200

Dear CCLers,

We have puzzling problem with QST3 in Gaussian 98 RevA.7. We are 
interested in the transition state of reaction CBr3CO + HBr -> CBr3CHO +  
Br. As we try to optimize geometry (# P HF/6-31G(d,p) nosymm Opt=QST3 Freq
Test) , we are able to locate the minimum, but the minimization does not
end to that. It continues until the end of cpu-time.
Have you noticed this kind of behavior in QST3 ?

Thanks in advance.

Yours,
Maija Lahtela-Kakkonen

***************************************
Maija Lahtela-Kakkonen
Researcher
CSC-Center for Scientific Computing
Tekniikantie 15 a D
P.O.Box 405
FIN-02101 ESPOO FINLAND
TEL 358-9-4572079
FAX 358-9-4572302
E-MAIL [email-masked]
***************************************