Subject: Cal'n of vibrational intensities

From: [email-masked] (Hr Dr. S. Shapiro)
Date: Tue, 13 Aug 1996 13:33:11 +0200 (MEST)

Dear Colleagues;

     Given the following output from a MOPAC "FORCE" calculation

     (i) frequency
    (ii) total dipole
   (iii) travel
    (iv) reduced mass

how does one calculate/estimate the _intensity_ of a vibration at a given fre-
quency?  If the above information is not sufficient, what other MOPAC-derived
data would I need in order to calculate the intensity?

     Thanks in advance to all responders.

 Sincerely,

 S. Shapiro
 [email-masked]