Name
STO3G — Specify basis set to “deorthogonalize” the semiempirical density
matrix.
Description
By default, a STO6G basis is used
to “deorthogonalize” the semiempirical density matrix for additional flexibility. The STO3G
keyword overrides this default and uses the smaller STO-3G basis instead. The option has
received little testing, but is provided nonetheless since preliminary testing shows it to
give about the same charge and ESP values as the STO-6G and requires approximately 1/3 of the
computer time.
