Anharmonic Vibrations Software

From: Artem Masunov <amasunov { *at * } shiva.Hunter.CUNY.EDU>
Subject: Anharmonic Vibrations Software
Date: Sun, 4 Feb 1996 19:45:04 -0500 (EST)

 Dear Netters,
 	I am looking for software to solve (multidimensional) vibrational
 Schroedinger equation. Gaussian94 apply harmonic model and just warns you
 it is incorrect for soft modes, but what is correct? I can calculate
 accurate PES, but how to get frequencies and zero-point vibrational levels
 for these selected vibrations (in my case they have double-well shape)?
 	Another problem - how to get vibrational modes expressed in
 internal (not cartesian) coordinates?
 	If you know any freeware/shareware please email me, I'll summarize.
 Thank you,
 Artem
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 shiva.hunter.cuny.edu
     /    \\  \\  \\  \       Chemistry Department, Hunter College
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