I take that back. It IS reproducible!!! See
http://www.stolaf.edu/people/hansonr/tmp/wow.htm
What a cool applet!!!!!
Bob
ps. Gotta fix this.....
Miguel wrote:
Bob asked:
Miguel, do you have a simple example of an xyz file that specifies vibration vectors?
Unfortunately not.
There is a samples/xyz/cs2.xyz ... but I don't trust it ... I don't think it is correct.
And the only way I would know how to create one is by looking at a gaussian file and creating the .xyz file by hand.
Maybe someone else knows how to do this and could contribute a simple molecule with vibrations ...
Miguel
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Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107 Professor of Chemistry, St. Olaf College 1520 St. Olaf Ave., Northfield, MN 55057 mailto:[EMAIL PROTECTED] http://www.stolaf.edu/people/hansonr
"Imagination is more important than knowledge." - Albert Einstein
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