[CHM 331] hmwk set 5

[Andrew J. Pounds]

On 10/24/12 21:05,  wrote:
> Dr. Pounds,
>
> 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.
>

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.


> 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?
>
> Thanks,
>

I'll try to help the class with this diagram in class tomorrow.

-- 
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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