Subject: CCL: Transition State Optimisation

From: Lachlan H Yee <[email-masked]>
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 Yee.

____________________________

Lachlan H Yee B.Sc.
Postgraduate Student
Polymer Science
Univesity of NSW
Sydney 2052 Australia

Ph (02) 9385 5512
Fx (02) 9385 5966
Email: [email-masked]