I see it:
http://cvs.sourceforge.net/viewcvs.py/*checkout*/jmol/Jmol/samples/xyz/cs2.xyz?rev=1.1
That file is fine; just a pretty odd combination of vectors and coordinates.
I put this in http://www.stolaf.edu/people/hansonr/jmol/inline/ and it did the job. I don't see what the middle column is for. It doesn't seem to be necessary.
BUT
WOW
You have to see this screen shot. I don't think I'll be able to reproduce it. From the gif you can't appreciate the amazing animation. Everything is flashing and moving back and forth. Totally awesome! Whatever could it be?
http://www.stolaf.edu/people/hansonr/tmp/wow.gif
supposedly from:
http://www.stolaf.edu/people/hansonr/tmp/wow.htm
Bob
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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"Imagination is more important than knowledge." - Albert Einstein
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