From owner-chemistry@ccl.net Thu Nov  4 08:59:00 2010
From: "Henry Martinez Hmartine+*+gmail.com" <owner-chemistry#,#server.ccl.net>
To: CCL
Subject: CCL:G: Gaussian 03: Potential energy scan and transition state
Message-Id: <-43071-101104081636-30154-/ZIpBpjBzjFIGCuJ/UCM1w#,#server.ccl.net>
X-Original-From: "Henry  Martinez" <Hmartine##gmail.com>
Date: Thu, 4 Nov 2010 08:16:35 -0400


Sent to CCL by: "Henry  Martinez" [Hmartine__gmail.com]
I forgot to mention the software I am using. Thanks for those who answer asking me for this.
I am using Gaussian 03. I would like to do a potential energy scan (PES) with a Transition 
State (TS) at the same time. I mean, when the scan gets to the correct distance where the 
transition state happens I would like it to be calculated. Is that possible? If so, how the input 
should looks like? Anybody could give me an example with a simple SN2 reaction? Thanks a 
lot for the help.