Subject: Re: CCL:Semiempirical vibration frequencies

From: "Jens Spanget-Larsen" <spanget-.at.-virgil.ruc.dk>
Date: Wed, 10 Nov 2004 17:11:02 +0100

John,

A.P. Scott & L. Radom, J. Phys. Chem. 1996, 100, 16502-16513, 
compare the vibrational frequencies predicted by AM1 and PM3 
with those obtained with a variety of HF, MP2, QCISD, and DFT 
procedures.

Jens >--< 

> CCLers,
> 
> Could anyone point me to references comparing vibration frequencies from 
> semiempirical methods with those fron ab initio or DFT?
> 
> Many thanks!
> 
> John McKelvey

=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=
JENS SPANGET-LARSEN         Office:         +45 4674 2710
Department of Chemistry     Fax:            +45 4674 3011
Roskilde University (RUC)   Mobile:         +45 2320 6246
P.O.Box 260                 E-Mail:        spanget-.at.-ruc.dk
DK-4000 Roskilde, Denmark   http://virgil.ruc.dk/~spanget
=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=