Subject: correction on 6-31G(**) definition

From: "Vitaly A. Rassolov" <[email-masked]>
Date: Tue, 9 Dec 1997 09:17:40 -0600

Dear CCLers:

I want to apologize for a very silly mistake in the 6-31G set definition in
my yesterday posting.  Rather than "6 basis functions for each core
orbital" I had to write "6 primitive exponents in the single contraction
for each core orbital".  By the way, a single star after "G" refers to the
single polarization function of higher angular momentum added to the 6-31G
set.  That would be "d" function for Li through Ar, and "f" afterwards.
For H and He 6-31G and 6-31G* are identical.  A second star refers to the
"p" type function on H and He, and no change for the rest of atoms.  This
means that 6-31G* and 6-31G** for Li through Zn are identical.

I am grateful to Jens Spanget-Larsen from Roskilde University for pointing
out my mistake.

	Vitaly Rassolov
	Department of Chemistry		tel. (847) 491-3423
	Northwestern University
	2145 Sheridan Rd.		[email-masked]
	Evanston, IL 60208-3113