From owner-chemistry@ccl.net Sun Nov 21 10:10:00 2010
From: "Hamdy El Sheshtawy h.elsheshtawy*_*jacobs-university.de" <owner-chemistry-*-server.ccl.net>
To: CCL
Subject: CCL:G: solvent effect
Message-Id: <-43189-101121100500-2893-RuevA3fbAOXR1V3c5MO9Hg-*-server.ccl.net>
X-Original-From: Hamdy El Sheshtawy <h.elsheshtawy-,-jacobs-university.de>
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Date: Sun, 21 Nov 2010 16:04:46 +0100
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Sent to CCL by: Hamdy El Sheshtawy [h.elsheshtawy|*|jacobs-university.de]
Dear CCL users,
First of all I want to thank people who replied to my question  
regarding transition state calculations and solvent effect.
I am using G03 and I want to use ethyl acetate as solvent but, when I  
tried to do this by using EPS=6.02 (UBecke3LYP/6-311G(d,p)  
opt=(maxcyc=1000) SCRF=(PCM,read,EPS=6.02) the job ended with an error  
that the solvent is not in the list. If anyone has a clue for this  
problem, I will be very grateful for that.
best
Hamdy
Jacobs University Bremen