Re: CCL:Origin of dipole moment in Gaussian

["Jens Spanget-Larsen" <spanget|at|virgil.ruc.dk>]

Dear Hans Martin,
 according to the manuals, output controlled by the POP
 keyword, including dipole and multipole moments, is expressed
 in the coordinate system defined by the 'standard
 orientation'. The origin of this system is the center of
 nuclear charge (presumably because this simplifies the
 evaluation of multipole terms). The orientation of the
 coordinate axes is determined by the molecular symmetry
 elements, if present.
 Jens >--<
 > Dear all
 >
 > This question is almost embarrassing, but I was unable to find a
 > definite statement as to the choice of origin of the dipole moment in
 > Gaussian 03's output. I have come across hints for both the centre of
 > mass and the centre of nuclear charges. Can anybody provide me with an
 > authoritative answer?
 >
 > Best regards
 >
 > Hans
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 JENS SPANGET-LARSEN         Office:         +45 4674 2710
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