[molpro-user] reference point for moments

[Peter Knowles]

Yes, that is correct. Of course it matters only if the overall charge is non-zero.
Peter
On 17 May 2014, at 06:36, Karol M. Langner <karol.langner at gmail.com> wrote:

> Hi!
> 
> I saw in the documentation that the default reference point for
> property evaluation with GEXPEC is the origin. Is that also true
> for the dipole moment printed by EXPEC after and SCF?
> 
> Thanks,
> Karol
> 
> -- 
> written by Karol M. Langner
> Wed May 14 20:57:07 EDT 2014
> 
> 

--
Prof. Peter J. Knowles             
School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, UK
Telephone +44 29 208 79182 Email KnowlesPJ at Cardiff.ac.uk 
WWW http://www.cardiff.ac.uk/chemy/contactsandpeople/academicstaff/knowles.html