Subject: Re: CCL:Frequency Scaling Factors

From: Tapas Kar <[email-masked]>
Date: Mon, 16 Aug 1999 10:35:38 -0500 (CDT)

B3LYP calculations with cc-pVDZ basis set:
stretches involving hydrogen: 0.96
other vibrations: 0.976

JML Martin, Chem. Phys. Lett. 262, 97-104 (1996); see also
Martin et al., J. Phys. Chem. 100, 15358-15367 (1996).
J. Phys. Chem., 100, 15056, 1996

On Fri, 13 Aug 1999, Ruth Tanner wrote:

> Date: Fri, 13 Aug 1999 18:38:27 -0400 (EDT)
> From: Ruth Tanner <[email-masked]>
> To: [email-masked]
> Subject: CCL:Frequency Scaling Factors
> 
> 
> Earlier someone was asking about scaling factors for B3LYP cc-pVTZ
> frequency calculations.  Could anyone give me a good reference for scaling
> factors for B3LYP cc-pVDZ, MP2 cc-pVDZ and cc-pVTZ?
> 
> thank you,
> Ruth
> 
> -----------------------------------------------------------------------------
> Ruth Tanner 						[email-masked] 
> M.Sc. Candidate in Physical Chemistry		  	University of Guelph
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--------------------------------------------
Tapas Kar, Ph. D                           
Department of Chemistry
Southern Illinois University at Carbondale
Illinois 62901-4409

Fax: (618) 453 6408
Tel: (618) 453 6433(Lab) 6485(Office)
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