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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.<br>
<br>
On 10/09/12 16:29, Christine.O.Conroy wrote:
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<div style="direction: ltr;font-family: Tahoma;color:
#000000;font-size: 10pt;">Dr. Pounds,
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<div>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.</div>
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<pre class="moz-signature" cols="72">--
Andrew J. Pounds, Ph.D. (<a class="moz-txt-link-abbreviated" href="mailto:pounds@theochem.mercer.edu">pounds@theochem.mercer.edu</a>)
Associate Professor of Chemistry and Computer Science
Mercer University, Macon, GA 31207 (478) 301-5627
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