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Gaussian
Stable release
Original author(s)	John Pople
Developer(s)	Carnegie Mellon University Gaussian, Inc.
Initial release	1970; 49 years ago
Website	www.gaussian.com

Gaussian/ˈɡaʊsiən/ is a general purpose computational chemistry software package initially released in 1970 by John Pople^[1]^[2] and his research group at Carnegie Mellon University as Gaussian 70.^[3] It has been continuously updated since then.^[4] 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. The current version of the program is Gaussian 16.^[5] 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.

Standard abilities[edit]

Gaussian 09. an electronic structure package capable of predicting many properties of atoms, molecules, reactive systems, e.g.; –molecular energies –structures –vibrational frequencies –electron densities –utilizing ab initio, density functional theory, semi.
Gaussian 16 in other parts of the University. The licence Chemistry has arranged for Gaussian 16 covers the whole University. Other departments can access the software either by purchasing media sets directly from Gaussian, Inc or by arranging with Chemistry to pay a share of the licence cost and then getting the software via Chemistry.

According to the most recent Gaussian manual, the package can do:^[6]

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Gaussian 09 free download. Argo This software carries the ancient Greek name Argo, which was the name of the ship that built Jason f. GAUSSIAN 09W TUTORIAL AN INTRODUCTION TO COMPUTATIONAL CHEMISTRY USING G09W AND AVOGADRO SOFTWARE Anna Tomberg anna.tomberg@mail.mcgill.com This is a quick tutorial that will help you to make your way through the ﬁrst steps of computational chemistry using. Oct 02, 2012 First Example of Building Molecule in Gaussview 5 and Running an Semi-Empirical OPTIMIZATION in Gaussian 09. Examples are showing for Cyclopropane, Naphthalene and the start of.

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Molecular mechanics
- Universal force field (UFF)
- DREIDING force field
Semi-empirical quantum chemistry method calculations
- Austin Model 1 (AM1),^[7]PM3,^[8]CNDO, INDO, MINDO/3, MNDO
Self-consistent field (SCF methods)
- Hartree–Fock method: restricted, unrestricted, and restricted open-shell
Møller–Plesset perturbation theory (MP2,^[9] MP3, MP4, MP5).
Built-in density functional theory (DFT) methods
- B3LYP and other hybrid functionals
- Exchange functionals: PBE, MPW, PW91, Slater, X-alpha, Gill96, TPSS.
- Correlation functionals: PBE, TPSS, VWN,^[10] PW91, LYP, PL, P86, B95
ONIOM (QM/MM method) up to three layers
Complete active space (CAS) and multi-configurational self-consistent field calculations
Coupled cluster calculations
Quadratic configuration interaction (QCI) methods
Quantum chemistry composite methods – CBS-QB3, CBS-4, CBS-Q, CBS-Q/APNO, G1, G2, G3, W1 high-accuracy methods

Official release history[edit]

Gaussian 70, Gaussian 76, Gaussian 80, Gaussian 82, Gaussian 86, Gaussian 88, Gaussian 90, Gaussian 92, Gaussian 92/DFT, Gaussian 94, Gaussian 98, Gaussian 03, Gaussian 09 and Gaussian 16.

Other programs named 'Gaussian XX' were placed among the holdings of the Quantum Chemistry Program Exchange. These were unofficial, unverified ports of the program to other computer platforms.

License controversy[edit]

In the past, Gaussian, Inc. has attracted controversy for its licensing terms that stipulate that researchers who develop competing software packages are not permitted to use the software. Some scientists consider these terms overly restrictive. The anonymous group bannedbygaussian.org^[11] has published a list of scientists whom it claims are not permitted to use GAUSSIAN software. These assertions were repeated by Jim Giles in 2004 in Nature.^[12] The controversy was also noted in 1999 by Chemical and Engineering News^[13]^[14] (repeated without additional content in 2004), and in 2000, the World Association of Theoretically Oriented Chemists Scientific Board held a referendum of its executive board members on this issue with a majority (23 of 28) approving the resolution opposing the restrictive licenses.^[15]

Gaussian, Inc. disputes the accuracy of these descriptions of its policy and actions,^[16] noting that all of the listed institutions do in fact have licenses for everyone but directly competing researchers. They also claim that not licensing competitors is standard practice in the software industry and members of the Gaussian collaboration community have been refused licenses from competing institutions.

Download Gaussian 09 Free

References[edit]

Gaussian Manual Pdf

Gaussian 09 Manual Pdf Download