From dino $#at#$ eik.bme.hu Mon Dec 8 12:39:01 1997 Received: from goliat.eik.bme.hu for dino[ AT ]eik.bme.hu by www.ccl.net (8.8.3/950822.1) id MAA11686; Mon, 8 Dec 1997 12:25:26 -0500 (EST) Received: (from dino /at\localhost) by goliat.eik.bme.hu (8.8.7/8.8.7) id WAA12569 for chemistry[ AT ]www.ccl.net; Fri, 5 Dec 1997 22:16:29 +0100 (MET) From: SZIEBERTH Denes Message-Id: <199712052116.WAA12569:~at~:goliat.eik.bme.hu> Subject: g94 irc problem To: chemistry%!at!%www.ccl.net Date: Fri, 5 Dec 1997 22:16:28 +0100 (MET) MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Dear CCL'ers Several of my internal reaction coordinate -following optimum searches run into the same problem: from a TS which has a negative frequency apparently corresponding to a dissociation, the resulting minima in both direction are the same. Has anyone experienced similar problems? Could it be a problem of the IRC method implemented in gaussian? I'd be grateful for any kind of help. Denes Szieberth Dept. of Inorganic Chemistry Technical University of Budapest Hungary dino-!at!-goliat.eik.bme.hu