Subject: Freezing Bond Angles

From: "Benny Moritz" <[email-masked]>
Date: Wed, 22 Sep 1999 21:37:36 -0700

Dear Netters,

	I have recently been working on perfluoro-2-azopropene (CF3-N=CF2)
trying to locate a transition state about the N=CF2 bond.  I'm having
trouble freezing the angle made by the C-N=C bond trying to keep it at 120
degrees.  I've been setting the value of the angle in the Z-Matrix as a
value and not a variable, but when optimized Gaussian 98 treats it as a
variable.  Is there anyway that I can restrict this angle from moving?

Ben Moritz
[email-masked]

---

From: Jamal Uddin <[email-masked]>
Date: Thu, 23 Sep 1999 16:38:29 +0200

Dear Morits,

You have to specify opt=Z-Matrix in the command line and in the geometry section
you have to specify frozen angle as a constant.

Cheers,

Jamal Uddin

Benny Moritz wrote:

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