From chemistry-request@ccl.net Sat May 11 05:25:38 1991
From: Ole Swang <oles@ulrik.uio.no>
Date: Sat, 11 May 1991 10:58:40 +0200
To: shiyi@bobino.bri.nrc.ca
Subject: Force Constant Calculations by different Gaussians (80->90)
Status: R

You suggest:

>  By the way, I think STO-3G is OK for this calculation 
>because of the size of the molecules I have to calculate.
>  Any comments, any suggestions?

Indeed. Bond constants for [C,N,O] containing molecules
will probably be better modelled by a modern semiempiric method
such as AM1. Minimal basis Hartree-Fock calculations cost more
and will probably give you less.