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III.E.1.a.

Mulliken Charges for ()

(See section VII.A.2 Charge and Dipole Units for a brief discussion of units.) The charge on the first atom is shown. Click on an entry for the charges on all atoms.
Select a method for a comparison across that row.
Mulliken charges in units of electron charge (e).
Methods with predefined basis sets

Mulliken charges in units of electron charge (e).
Methods with standard basis sets
For descriptions of the methods (AM1, HF, MP2, ...) and basis sets (3-21G, 3-21G*, 6-31G, ...) see the glossary in section I.C. Predefined means the basis set used is determined by the method.
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