From David.DeVito \\at// chiphy.unige.ch  Tue Feb 17 10:21:41 1998
Received: from sc2a.unige.ch  for David.DeVito:~at~:chiphy.unige.ch
	by www.ccl.net (8.8.3/950822.1) id JAA01670; Tue, 17 Feb 1998 09:13:46 -0500 (EST)
Received: from PCC2340E.unige.ch ([129.194.52.14])
 by sc2a.unige.ch (PMDF V5.1-10 #10385)
 with SMTP id <01ITOVQTKM10001H1R*- at -*sc2a.unige.ch> for chemistry*- at -*www.ccl.net;
 Tue, 17 Feb 1998 15:13:33 MET
Date: Tue, 17 Feb 1998 15:13:53 +0100
From: David De Vito <David.DeVito # - at - # chiphy.unige.ch>
Subject: Gamess basis set for Rhodium
To: chemistry ":at:" www.ccl.net
Message-id: <006f01bd3bae$47281780$0e34c281 $#at#$ PCC2340E.unige.ch>
MIME-version: 1.0
X-Mailer: Microsoft Outlook Express 4.72.2106.4
Content-type: text/plain; charset=iso-8859-1
Content-transfer-encoding: 7bit
X-MSMail-Priority: Normal
X-MimeOLE: Produced By Microsoft MimeOLE V4.72.2106.4
X-Priority: 3


Hello !

I'd like make some calculations on a [Rh(H2O)6]2+ system and the problem is:
what kind of basis set can I use ?

For ECP basis set, the Gamess user's manual says that one can use the
Stevens/Basch/Krauss/Jasien/Cundari valence basis set.

But, I would like use a full electron basis set. Can someone advise me about
this ?


Thank you very much for the help ! Best regards, D. De Vito.


****************************************************************

D. De Vito
Department of Physical Chemistry
Group of Prof. Weber (Computational Chemistry)
University of Geneva
Office 106 - Sciences II
30, Quai Ernest-Ansermet
1211 Geneva 4 / Switzerland
+4122 / 702.65.35 (Office)
+4179 / 310.05.76 (Mobile)
+4122 / 733.38.35 (Home)
http://lcta/~devito (Personal Page)
http://www.unige.ch/sciences/chimie (Web Master)

****************************************************************