Q-Chem is equipped with many standard basis sets,EMSL and allows the user to specify the required basis set by its standard symbolic representation. The available built-in basis sets include the following types:
In addition, Q-Chem supports the following features:
Extra diffuse functions available for high quality excited state calculations.
Standard polarization functions.
Basis sets are requested by symbolic representation.
, , , , , and angular momentum types of basis functions (For energy calculations up to are supported).
Pure and Cartesian basis functions.
Mixed basis sets (see section 8.5).
Basis set superposition error (BSSE) corrections.
The following $rem keyword controls the basis set: