[CHM 371] lab/gaussian

[Andrew J. Pounds]

We have not used Gaussian yet.  You may, however, look up the 
vibrational energies for CO2 and use the Gaussian calculations for the 
final draft of the paper.

On 10/09/12 16:29, Christine.O.Conroy wrote:
> Dr. Pounds,
>
> For the theoretical calculations it says to use Gaussian to optimize 
> the structure of CO2 and have the program calculate vibrational 
> frequencies. I am not entirely sure what Gaussian is or how to use it.

-- 
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

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://theochem.mercer.edu/pipermail/chm371/attachments/20121009/3eca0f1d/attachment.html>