CCL:G: 3rd-row G3 G3MP2 and G3B3 under G03W?

From: "Shobe, David" <dshobe^^^sud-chemieinc.com>
Subject: CCL:G: 3rd-row G3 G3MP2 and G3B3 under G03W?
Date: Wed, 17 May 2006 15:31:56 +0200

Title: 3rd-row G3 G3MP2 and G3B3 under G03W?

Can one expect correct answers when calculating G3, G3MP2 or G3B3 energies using Gaussian 03W for a species containing 3rd-row main group elements (K-Ca, Ga-Br)?

I ask because certain established basis sets (includng 6-31G*) were redefined for the purposes of G3 calculations when the method was extended to 3rd-row elements.

--David Shobe, Ph.D., M.L.S.
Süd-Chemie, Inc.
phone (502) 634-7409
fax (502) 634-7724

Don't bother flaming me: I'm behind a firewall.

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