From owner-chemistry@ccl.net Wed Nov  3 23:25:00 2010
From: "Henry Martinez hmartine^gmail.com" <owner-chemistry_-_server.ccl.net>
To: CCL
Subject: CCL: Potential energy scan and Transition state
Message-Id: <-43066-101103231623-26445-6rBfkp2BdCzEAA8riZFAJQ_-_server.ccl.net>
X-Original-From: "Henry  Martinez" <hmartine * gmail.com>
Date: Wed, 3 Nov 2010 23:16:22 -0400


Sent to CCL by: "Henry  Martinez" [hmartine+*+gmail.com]
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.