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Dear Netters
We got a nice gift from Milan Hadoscek (in TeX: Milan Hado\v{s}\v{c}ek}.
His xvibs program will:
1. extract normal modes from G9X input.
2. create an Xmol input file for animation.
3. You now can use Xmol to see animation of normal vibrations calculated
   by G9X by reading the file to Xmol (XYZ format) and clicking on
   Extras, then Animation.  Xmol is available from anonymous
   ftp at ftp.msc.edu in /pub/xmol. Consult postings about Xmol in our
   archives: 92/06/03, 92/06/12.


/**********************************************************

Program extracts normal modes from Gaussian output file.
It writes separate files, one simple cosine trajectory for
particular normal mode. Output is in Xmol XYZ format.
(Click Animate button and enjoy!)

Compiling:

cc -o xvibs xvibs.c -lm

Running:

xvibs mymolecule.out {all|1-(3*N-6)}

Example:

g90  benzene.out (or equivalent)

xvibs benzene.out all

Output files are named benzene.{1-30}

or 

xvibs benzene.out 15

for mode 15 only.

Output will be benzene.15


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Written in 1990 by Milan Hodoscek
Institute of Chemistry, Ljubljana, Slovenia
Modified for XMOL 1992 @NIH, Bethesda, MD
Bug report to: milan@helix.nih.gov
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Modified: Wed Feb 19 17:00:00 1997 GMT
Page accessed 4474 times since Sat Apr 17 22:01:11 1999 GMT