Subject: B3LYP Raman Activities

From: Lyudmila V Moskaleva <[email-masked]>
Date: Thu, 12 Mar 1998 16:55:57 -0500 (EST)

Dear Subscribers:

Can anyone, please, advise me on the following subject.
I am doing frequencies calculations at B3LYP level in Gaussian94.
For some reason, in the output I get all zeros in the place of Raman
scattering Activities and Raman depolarization Ratios:

                     1                      2                      3
                    ?A                     ?A                     ?A
 Frequencies --  -549.0164                33.2578               119.9049
 Red. masses --     7.8867                 2.2972                 3.9523
 Frc consts  --     1.4006                 0.0015                 0.0335
 IR Inten    --     0.0177                 0.0940                 0.0677
 Raman Activ --     0.0000                 0.0000                 0.0000
 Depolar     --     0.0000                 0.0000                 0.0000

Is there any keyword or "IOP" that would force the program to calculate
these parameters or does this feature only function for HF calculations?

Thank you in advance for any response.

Sincerely,
Lyudmila Moskaleva

e-mail: [email-masked]