Subject: saddle point

From: Krzysztof Radacki <[email-masked]>
Date: Mon, 28 Jun 1999 21:16:09 +0200

Dear CCL'ers
I have calculate one structure for which frequence analysis shows two 
negative vibrations (saddle 2nd order). 
My question is how can I with gaussian choose one of four direction
for minimalization? I can't use IRC because it needs exactly one
negative frequence. 
One of this motions is opening/closing three-memmbered ring the other 
one is rotation of hydrogens connected to one of vertices.

I've tried to froze all variables and let only change one of angles
but I always come to the same structure or back to saddle.

It seems that solution could be eigenvalue-following method (Opt=EF)
but I can't understand description from "User's Refernce" how to use
it.

I want also to thank all people who answer on my question about
isosurface. I will summarise it in next days. It can happend that 
not all answers will  be there because last week our university
mail-server was dead for 3-4 days.

Krzys Radacki
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