From amasunov@shiva.Hunter.CUNY.EDU  Sun Feb  4 19:55:19 1996
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Date: Sun, 4 Feb 1996 19:45:04 -0500 (EST)
From: Artem Masunov <amasunov@shiva.Hunter.CUNY.EDU>
To: Computational Chemistry List <chemistry@www.ccl.net>
cc: Artem Masunov <amasunov@shiva.Hunter.CUNY.EDU>
Subject: Anharmonic Vibrations Software
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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
      __   _________ 
     /  \ /  _   _  \  Artem Masunov, mailto: amasunov@shiva.hunter.cuny.edu
    /    \\  \\  \\  \       Chemistry Department, Hunter College
   /  /\  \\  \\  \\  \          City University of New York
  /  ____  \\  \\  \\  \     695 Park Avenue, New York, NY 10021
 /__/\__/\__\\__\\__\\__\ Tel: (212) 725-0317, Fax: (212) 772-5332
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