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On 10/24/12 21:05, wrote:
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<div style="direction: ltr; font-family: Tahoma; color: rgb(0, 0,
0); font-size: 10pt;">Dr. Pounds,
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<div>For problem 2.e part iii, what basis set should we use to
calculate the angles for the four trigonal pymidal molecules?
Using 3-21G and 6-31G I found that NH3 was the closest to
trigonal planar, but using 6-31G d I found NCl3 to be the
closest.</div>
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Because I did not specify the basis set you may use any basis set
you want. As you have already found out, the choice of basis set
does matter. Please do specify which basis set AND METHOD you used
to make your determination. <br>
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<div>Also, I'm not sure how to interpret figure 11.14 on page
413 for number 2.a. Could you either explain it or go over it
in class?</div>
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<div>Thanks,</div>
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I'll try to help the class with this diagram in class tomorrow.<br>
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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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