TheChkBasiskeyword requests that the basis set be read from the checkpoint file, and is useful in compound jobs involving general basis sets by allowing them to have only one copy of the basis set in the input stream. Note, however, thatChkBasiscan be used to retrievewhateverbasis set exists in a checkpoint file, regardless of how it was originally specified. ECPs specified in the basis set are also retrieved, as are the choices for pure vs. Cartesian functions.
By default,ChkBasiswill also retrieve any density fitting basis in the checkpoint file. See the examples for other possibilities.
Of course, no basis set keyword should be specified withChkBasis.
CheckPointBasis,ReadBasis, andRdBasisare all synonyms forChkBasis.
Gen,GenECP,Pseudo,ExtraBasis,ExtraDensityBasis
The following route section will retrieve the basis set and density fitting set (if any) from the checkpoint file and use them for the current job:
# BLYP/ChkBasis
The following route section will retrieve only the basis set from the checkpoint file, and an automatically generated density fitting basis will be used:
# BLYP/ChkBasis/Auto
The following route section will retrieve only the density fitting basis from the checkpoint file:
# BLYP/6-31G(d)/ChkBasis
Last update: 23 April 2013