Re: CCL:scaling factor for B3LYP/6-311++G**

From: "Jens Spanget-Larsen" <spanget<<at>>virgil.ruc.dk>
Organization: Roskilde Universitetscenter
Subject: Re: CCL:scaling factor for B3LYP/6-311++G**
Date: Tue, 18 Nov 2003 11:46:29 +0100

John Lee <g03<<at>>joyie.com>:
 >     Does anybody knows the scaling factor for B3LYP/6-311++G**,
 > especially when calculating water cluster using G03? Thanks.
 Do you mean the scaling factor that converts computed harmonic
 wavenumbers into 'experimental scale'? - The factor alpha =
 0.98 was found for B3LYP/6-311++G** in calculations on
 malonaldehyde enol:
 J. Spanget-Larsen, Chem. Phys. 240, 51-61 (1999)
 Yours, Jens >--<
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