||Computational Chemistry Comparison and Benchmark DataBase
Release 21 (August 2020) Standard Reference Database 101
National Institute of Standards and Technology
You are here: Calculated > Electrostatics > Dipole > Dipole calculation types
Electric dipole moments calculated from atom charges
compared to dipoles from the wavefunction.
The electric dipole moment is a measure of the charge distribution in a molecule.
The calculated dipole moments are reported as an unsigned total dipole and as three cartesians
components in units of Debye.
FAQ Help; Units; Choose Units; Dipole and Quadrupole to change dipole units.
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