[CHM 331] Molecules Ready

Andrew J. Pounds pounds_aj at mercer.edu
Wed Oct 26 06:45:43 EDT 2011


  Alright -- the last calculation FINALLY finished (took 40 processors 3 
hours to complete) so I now all of the molecules are ready for the 
symmetry capsule.

Anyway -- using your code that I gave you last time, you should be able 
to access you molecular data on the CHM 331 website.

In class today we will load this information in Gaussian so you can view 
your molecule.


-- 
Andrew J. Pounds, Ph.D.  (pounds at theochem.mercer.edu)
Associate Professor of Chemistry and Computer Science
Mercer University,  Macon, GA 31207   (478) 301-5627



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