

Michael

I have done some work in this field.  See J. Phys. Chem. A, 1997, 101,
1927-1934.  It has the functionals and basis sets you want, unfortunately
not frequencies.  It deals with energetics and was intended as the first in
a series.  Geometries and frequencies were to be part 2, but I never got
around to it before moving to a second postdoc.  There may be at least some
useful references in there.

Best wishes
Jaime

Jaime Martell, Ph.D.			P.O. Box 2317
Camille and Henry Dreyfus Fellow	Batesville, AR 72503-2317
Biology and Chemistry Division	Phone:  870-698-4688	
Lyon College				Fax:  870-698-4622

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