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Calculated electric quadrupole moments

The electric quadrupole moment is a measure of the charge distribution in a molecule. The calculated quadrupole moments are reported as symmetric matrix components in units of D Å (Debye times Angstrom) or e a02 (electron charge times bohr squared).
The currently chosen quadrupole units are D Å
To change units see section: FAQ Help; Units; Choose Units; Dipole and Quadrupole

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Species in the CCCBDB


References dealing with electric quadrupoles
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