From philfen@dabulls.chem.wisc.edu Tue Sep 23 20:26:23 1997 Received: from dabulls.chem.wisc.edu for philfen@dabulls.chem.wisc.edu by www.ccl.net (8.8.3/950822.1) id TAA03915; Tue, 23 Sep 1997 19:55:10 -0400 (EDT) Received: by dabulls.chem.wisc.edu (950215.SGI.8.6.10/940406.SGI.AUTO) for chemistry@www.ccl.net id SAA01201; Tue, 23 Sep 1997 18:55:00 -0500 From: "Peter Hilfenhaus" Message-Id: <9709231854.ZM1199@dabulls.chem.wisc.edu> Date: Tue, 23 Sep 1997 18:54:54 -0500 X-Mailer: Z-Mail (3.2.0 26oct94 MediaMail) To: chemistry@www.ccl.net Subject: Rh basis set Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Hi CCL-people, I performed a study (geometry optimization) of Rh complexes using B3LYP/LANL2DZ in Gaussian 94. Now I want to verify my results using a larger basis set at the Rh center. Since simple uncontraction of (341/321/31) in LANL2DZ might not be an appropriated way to get a larger basis set I would like to ask for suggestions, experiences and references about larger basis sets for Rh!! Please respond directly to: philfen@chem.wisc.edu I 'll post a summary. Peter -- ---------------------------------------------------- Peter Hilfenhaus University of Wisconsin 1101 W. University Avenue Madison, WI 53706, U.S.A. ----------------------------------------------------