Re: [Open Babel] Bug in vibration code?

[Geoffrey H. <ge...@ge...>]

On Mar 22, 2009, at 6:08 PM, David Lonie wrote:

> I've sent this to both lists, since there seems to be a bug in  
> openbabel, but I noticed and can replicate it in avogadro:
...
> Recompile and open methane.out in testfiles, then open the vibration  
> extension. Output shows:
...
> size intensities    12
> size frequencies    9

OK, so that's in the Open Babel code for Q-Chem output files. I'll  
take a look.

Thanks for the heads-up.

Cheers,
-Geoff