Subject: TRANSITION STATE AND IMAGINARY..., ANSWER

From: Errol Lewars <[email-masked]>
Date: Fri, 26 Nov 1999 16:36:46 -0500

1999 Nov 26

Hello, Vladimir Basiuk asked:

***
From: 
    Vladimir Basiuk <[email-masked]>
    To: 
        [email-masked]
Dear CCLers,

Please could you help me to clarify the following point.
Is the presence of one imaginary frequency the necessary and sufficient
criterion to consider the structure as TS? 
Thank you and best regards,
Vladimir
 ***

The answer is yes. A structure is a TS if and only if it has one
imaginary frequency. Of course 
(1)this alone does not prove it is the TS you are looking for, and
(2) at another level of calculation the TS may become a minimum or    
hilltop.

E Lewars