CCL: Transition State Optimisation
- From: Lachlan H Yee <L.Yee &$at$& unsw.edu.au>
- Subject: CCL: Transition State Optimisation
- Date: Tue, 13 May 1997 14:41:11 +1000
Dear Theoretical Chemists,
I am struggling to find the transition state between to simple molecules.
I am using Gaussian94 and keep coming up with two imaginary frequencies
when solving for frequencies.
I am wondering if someone could advise me on how to direct the program to
follow the 2nd imaginary frequency, which I believe to be the one
corresponds to the First Order Saddle Point I seek.
Any help would be appreciated,
Lachlan H Yee B.Sc.
Univesity of NSW
Sydney 2052 Australia
Ph (02) 9385 5512
Fx (02) 9385 5966
Email: l.yee &$at$& unsw.edu.au