From owner-chemistry@ccl.net Thu Dec 29 09:33:00 2011
From: "Senthil kumar Krishnasamy supersenthil73:-:rediffmail.com" <owner-chemistry.@.server.ccl.net>
To: CCL
Subject: CCL:G: Error termination of the job -SPE of hydrogen atom in solvent phase
Message-Id: <-46081-111229091218-31585-5s0h/w8IAthsSxOVBjp/GQ.@.server.ccl.net>
X-Original-From: "Senthil kumar  Krishnasamy" <supersenthil73 * rediffmail.com>
Date: Thu, 29 Dec 2011 09:12:17 -0500


Sent to CCL by: "Senthil kumar  Krishnasamy" [supersenthil73(0)rediffmail.com]
Hai

I had the following error when calculating the single point energy of hydrogen atom in solvent phase 
I used the following route section

# B3lyp/6-311G(d,p) sp SCRF=(PCM, solvent=Water) 

The following error received 
United Atom Topological Model (UA0  parameters set).
UA0: Hydrogen    1 is unbound. Keep it explicit at all point on the
UA0: potential energy surface to get meaningful results.
Error termination via Lnk1e in e:\gaussian software\l301.exe at Sun Dec 25 12:29:04 2011.

Any one knows the solution for this problem pl reply

Thanks in advance

By 
K. Sethil kumar
E-mail id:supersenthil73^^^rediffmail.com 

Faculty of Physics
Hindusthan college of engg & tech
Coimbatore
India