{SPAM}? [molpro-user] {SPAM}? dipole moment

[Peter Reinhardt]

tereza sedivcova wrote:
> Dear users,
> I have a question about the theory behind the calculation of dipole moment
> for charged systems as implemented in molpro.
> My system is CO++ for e.g. triplet sigma plus state the input is :
>

Dear Tereza,
you may displace your molecule. If the moment does not change it is
very likely that the center is the nuclear barycenter. Otherwise you
will find a changement of 2 * displacement, as you have a charge 2+ .

Yours,
   Peter


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