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Quantum Chemistry > 6-311G

The following information is about 6-311G.

6-311G Defined

A popular VTZ basis set similar to the small 6-31G set. Usually supplemented with polarization functions. Built like 6-31G but with a third layer of valence functions composed of a single, uncontracted primitive set. Some workers consider this basis to be less flexible than a "real" triple-zeta basis.

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