Subject: Reduced Mass in Vibration Calculation

From: jmmckel|at|attglobal.net
Date: Tue, 11 Jan 2005 18:37:44 +0000

CCLers,

Calculations of emission spectra using AM1 ground state vibration 
calculations in MOPAc vs Gaussian differ, and the suspect is the definition 
of reduced mass in the two codes.

Could someone please comment on the two apparently different 
definitions?

many thanks!

John McKelvey