[CHM 331] your problem

Andrew J. Pounds pounds_aj at mercer.edu
Fri Nov 15 03:46:23 EST 2013



On 11/14/13 22:44, Connor Gregory Holt wrote:
> Is it normal for Gaussian to give negative frequencies? I used the DFT 
> B3LYP 6-31G* (d,p) basis set to calculate the Vibrational frequencies 
> and one is negative. I also used HF 6-31G and got a negative one as 
> well for the first mode.
>
> Thanks
>
> Connor

It is normal -- BUT negative frequencies mean something very specific in 
Gaussian.   We will have class in the computer lab on Friday to discuss 
this.

-- 
Andrew J. Pounds, Ph.D.  (pounds_aj at mercer.edu)
Professor of Chemistry and Computer Science
Mercer University,  Macon, GA 31207   (478) 301-5627
http://faculty.mercer.edu/pounds_aj

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