These were unofficial, unverified ports of the program to other computer platforms.

Other programs named 'Gaussian XX' were placed among the holdings of the Quantum Chemistry Program Exchange. Gaussian 70, Gaussian 76, Gaussian 80, Gaussian 82, Gaussian 86, Gaussian 88, Gaussian 90, Gaussian 92, Gaussian 92/DFT, Gaussian 94, and Gaussian 98, Gaussian 03, Gaussian 09, Gaussian 16.

Quantum chemistry composite methods – CBS-QB3, CBS-4, CBS-Q, CBS-Q/APNO, G1, G2, G3, W1 high-accuracy methods.

Quadratic configuration interaction (QCI) methods.

Complete active space (CAS) and multi-configurational self-consistent field calculations.

ONIOM ( QM/MM method) up to three layers.

Correlation functionals: PBE, TPSS, VWN, PW91, LYP, PL, P86, B95.

Exchange functionals: PBE, MPW, PW91, Slater, X-alpha, Gill96, TPSS.

Built-in density functional theory (DFT) methods.

Møller–Plesset perturbation theory (MP2, MP3, MP4, MP5).

Hartree–Fock method: restricted, unrestricted, and restricted open-shell.

Austin Model 1 (AM1), PM3, CNDO, INDO, MINDO/3, MNDO.

Semi-empirical quantum chemistry method calculations.

Originally available through the Quantum Chemistry Program Exchange, it was later licensed out of Carnegie Mellon University, and since 1987 has been developed and licensed by Gaussian, Inc.Īccording to the most recent Gaussian manual, the package can do: The current version of the program is Gaussian 16. The name originates from Pople's use of Gaussian orbitals to speed up molecular electronic structure calculations as opposed to using Slater-type orbitals, a choice made to improve performance on the limited computing capacities of then-current computer hardware for Hartree–Fock calculations.

It has been continuously updated since then. Gaussian / ˈ ɡ aʊ s i ə n/ is a general purpose computational chemistry software package initially released in 1970 by John Pople and his research group at Carnegie Mellon University as Gaussian 70.

Gaussian 98 software