Gaussian 16 Rev C.01 Has Been Released: The latest version of Gaussian 16 has been released. Read the release notes here. INSTAGRAM👉👉 MATERIAL👉SERIES👉👉PAGE. Gaussian 09W (G09) is a computational chemistry program that runs on any mod-ern Windows 32-bit PC. If you want to install G09 on a 64bit PC, there is a special procedure you must follow: 1.Insert the CD with G09 and copy its content onto you computer. Any folder will do; I copied directly into the:Cndirectory. 2.Open directory containing G09. Changes Between Gaussian 16 and Gaussian 09; CIS; Citation; Citation; DFT Functionals Double Hybrid; External; G16W System Requirements; Gaussian 16 Frequently Asked Questions; Gaussian 16 Rev. A.03 Release Notes; Gaussian 16 Rev. B.01 Release Notes; Gaussian 16 Rev. C.01 Release Notes; Gaussian Reference – Preferences; Gaussian Reference.

The Gaussian 09 license prohibits the publication of comparative benchmark data. A SLURM script must be used in order to run a Gaussian09 job. HPCC main cluster Penzias supports Gaussian jobs demanding up to 64GB of memory.

Note that you should replace Revision A.02 with the identifier for the revision of the program that you actually used.

Gaussian 09, Revision A.02, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. Marenich, J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.

Additional Citation Recommendations

In general, we recommend citing the original references describing the theoretical methods used when reporting results obtained from Gaussian calculations, as well as giving the citation for the program itself. These references are given in the discussions of the relevant keywords. The only exceptions occur with long established methods such as Hartree-Fock theory which have advanced to the state of common practice and are essentially self-citing at this point.

Gaussian software, free download

In some cases, Gaussian output will display the references relevant to the current calculation type.

Gaussian also includes the NBO program as link 607. If this program is used, it should be cited separately as:

Gaussian 09

NBO Version 3.1, E. D. Glendening, A. E. Reed, J. E. Carpenter, and F. Weinhold.

Gaussian 09 For Mac

The original literature references for NBO can also be cited [Extension of Lewis structure concepts to open-shell and excited-state molecular species, Ph.D. thesis, University of Wisconsin, Madison, WI, 1987.' target='_blank'>Carpenter87, J. Mol. Struct. (Theochem), 139 (1988) 41-62. DOI: 10.1016/0166-1280(88)80248-3' target='_blank'>Carpenter88, J. Am. Chem. Soc., 102 (1980) 7211-18. DOI: 10.1021/ja00544a007' target='_blank'>Foster80, J. Chem. Phys., 78 (1983) 4066-73. DOI: 10.1063/1.445134' target='_blank'>Reed83a, J. Chem. Phys., 83 (1985) 735-46. DOI: 10.1063/1.449486' target='_blank'>Reed85, J. Chem. Phys., 83 (1985) 1736-40. DOI: 10.1063/1.449360' target='_blank'>Reed85a, Chem. Rev., 88 (1988) 899-926. DOI: 10.1021/cr00088a005' target='_blank'>Reed88, The Structure of Small Molecules and Ions, Ed. R. Naaman and Z. Vager (Plenum, 1988) 227-36. DOI: 10.1007/978-1-4684-7424-4' target='_blank'>Weinhold88].

Last update: 01 November 2016.