Subject: B3LYP Raman activities are possible

From: Lyudmila V Moskaleva <[email-masked]>
Date: Tue, 31 Mar 1998 14:24:22 -0500 (EST)

Hello:
This is a little addition to the question of B3LYP raman activities.
As Stefan Faux noticed,
the cubic option to the freq-keyword produces numerical 3rd derivatives if
analytic 2nd derivatives are available.

# ... freq=cubic ...      
will give you Raman activities and depolarization ratios

This works for B3LYP.

Lyudmila