Q-Chem 5.0 User’s Manual

7.2 Built-In Basis Sets

Q-Chem is equipped with many standard basis sets [523], 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:

The following $rem keyword controls the basis set:

BASIS

Sets the basis set to be used


TYPE:

STRING


DEFAULT:

No default basis set


OPTIONS:

General, Gen

User-defined. See section below

Symbol

Use standard basis sets as in the table below

Mixed

Use a combination of different basis sets


RECOMMENDATION:

Consult literature and reviews to aid your selection.