Subject: Nuclear Magnetic Resonance

From: [email-masked] (mo yi rong)
Date: Thu, 13 Nov 1997 09:32:30 +0800

Dear All:

Regarding the calculation of Nuclear Magnetic Resonance (NMR) in Gaussian94,
I want to know whether the unitary transformation, which keeps th total
energy unchanged, will alter the NMR output.  In other words, if the MOs
are orthogonal but not the eigenfunctions of the Fock opeartor, are the NMR
data based on these MOs realiable and meaningful?

Thanx and have a good day,

Yirong Mo

[email-masked]