From chemistry-request ^at^ ccl.net Tue Jan 11 13:20:28 2005
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From: jmmckel|at|attglobal.net
To: chemistry|at|ccl.net
Subject: Reduced Mass in Vibration Calculation
Date: Tue, 11 Jan 2005 18:37:44 +0000
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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