Subject: Saddle point optimization

From: Jussi Eloranta <[email-masked]>
Date: Fri, 21 Jul 1995 11:59:42 +0300 (EET DST)

Hi,

Is there a way to optimize to the geometry which is a minimum with respect
to all variables except two for which it should be a maximum
(ie. saddle point of order of 2). These two variables are some known Z-matrix
variables.

I've looked at saddle, ts, and ef params for opt but they don't seem to
help with this.

BTW would this be as simple as choosing "-Grad" direction for all variables
but these two for which it would be "+Grad" ?

Regards,

Jussi Eloranta

PS. I'm using Gaussian 92/DFT

---

From: Craig Wilson <[email-masked]>
Date: Fri, 21 Jul 95 14:38:40 BST

> PS. I'm using Gaussian 92/DFT

You should be able to optimize to a second order saddle point by specifying

Opt(Saddle=2)

in the route section

Hope this helps,

Craig
--
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* Craig Wilson                              e-mail: [email-masked]   *
* Dept. of Chemistry                                                          *
* University of Warwick                                                       *
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