From: Wang, Boyang (bwang9_at_uic.edu)
Date: Sun May 01 2005 - 22:46:22 CDT
Hi all. I wonder who has the experience of calculating all the dihedral
parameters and improper parameters to fit the vibrational spectra
calculated by Gaussian.
I want to calculate all the normal modes of a given inorganic compound
and write a parameter file for it. But Gaussian only calculates the
normal modes and improper is actually calculated from the fitting of
vibrational parameters into vibrational spectra.
Thanks for your time and consideration.
Univ, Illinois, Chicago.
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