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Basis-set File GENBAS

The file GENBAS contains the required information for the basis sets available to the user. The following sets are currently included in the standard GENBAS file included in the CFOUR distribution. Note that besides the name of the basis, additional information such as the atoms for which the sets are available, proper reference, etc. are provided.

a) Pople basis sets
b) Dunning-Huzinaga basis sets
c) Karlsruhe basis sets
d) Dunning's correlation-consistent basis sets
e) Special basis sets

If the desired basis set is not available in the standard GENBAS file, it must be either added by the user or (if possible) directly downloaded the from the online EMSL library, (https://bse.pnl.gov/bse/portal). So far please use the ACESII format option.

Old format of an entry in the GENBAS file
New format of an entry in the GENBAS file

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Page last modified on June 14, 2011, at 05:49 PM
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CFOUR is partially supported by the U.S. National Science Foundation.