There's a bug where the dipole moment doesn't get updated properly. What
version are you using?
Thanks,
-Geoff
---
Prof. Geoffrey Hutchison
Department of Chemistry
University of Pittsburgh
tel: (412) 648-0492
email: geo...@pitt.edu
web: http://hutchison.chem.pitt.edu/
On Dec 10, 2012, at 2:12 AM, Steven Petrovic <petro...@sou.edu> wrote:
> Dear List Members,
> I am building some simple molecules in Avogadro for a future lab experiment.
> I built carbon dioxide by selecting carbon and a double bond order, and I
> turned off the adjust hydrogens box. I created C = C = C, went back and
> selected oxygen, and clicked on the outer carbon atoms to make CO2. Once that
> was complete, I optimized the geometry using UFF. The bond angle and lengths
> seem to be appropriate (180 degrees and 1.196 A for both bonds), however the
> dipole moment seems abnormally large (7.893 D). The patial charges seem right
> (-0.19 for each oxygen and 0.37 for the carbon atom). Any ideas why I'm not
> getting close to a zero dipole moment?
> Thanks,
> Steve
>
>
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