Hi,
I was wondering if there is any updated journal
article/site that have scaling factors for calculated vibrational frequencies
(the latest article seems to be:
Harmonic Vibrational Frequencies: An
Evaluation of Hartree-Fock,
Møller-Plesset,
Quadratic Configuration Interaction,
Density Functional Theory, and Semiempirical Scale
Factors
Anthony P. Scott and Leo Radom*
Research School of Chemistry,
Australian National UniVersity,
Canberra, ACT 0200, Australia
ReceiVed: April
2, 1996; In Final Form: July 30, 1996X
J. Phys.
Chem. 1996, 100,
16502-16513
I am particularly interested in B3LYP/6-31G**. Any feedback or reply would be greatly appreciated.
Thanks in advance.
Sincerely,
Alex Balboa
Chemist
US Army Soldier Biological, Chemical
Command
Chem-Bio Radiological Filtration Team
Tech Dir, ECBC
ATTN: AMSSB-RRT-PF
Bldg E3549, Section C500, Cubicle 115
5183 Blackhawk Road
Aberdeen Proving Ground-Edgewood Area, MD
21010-5424
Telephone: (410)436-5913
FAX: (410)436-7695
email: axbalboa \\at//
sbccom.apgea.army.mil