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I think that must be a typo --- B88 is the method specification for
another quantum chemistry program (not Gaussian)<br>
<br>
Set the method to B3LYP (A DFT Method) with a DGDZVP basis set.<br>
<br>
A PES is a Potential Energy Surface (like you have already plotted
for dichloroethane).<br>
<br>
<br>
<br>
On 10/29/2012 06:57 PM, wrote:
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cite="mid:CA765D0D95A04D449667AFA14377899C5560D74EA2@MERCERMAIL.MercerU.local"
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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 4th capsule, in part 2, it asks about PES using
B88-LYP/DZVP. What is PES and is the basis set a typo?</div>
<div><br>
</div>
<div>Thanks,</div>
<div><br>
</div>
</div>
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<br>
<br>
<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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