TURBOMOLE Modules > Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools
intrinsic-atomic dipole moment
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Mohammad:
Many thanks from your users forum, This is very useful.
I have needed to calculate intrinsic-atomic dipole moment for some small organic molecules but I could not find any thing. I know, molecule dipole moment have been calculated after scf, MP2, .... level of theory, automatically.
I'm eager to determine the intrinsic-atomic dipole moment (in a molecule) . Thus my appreciation for any comment or suggestion, how could I do that?
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