Gaussian 09 Reference
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Gaussian 09 Reference

List of Gaussian Keywords # ADMP; BD; BOMD; CacheSize; CASSCF; CBS Methods; CBSExtrapolate; CCD and CCSD; Charge; ChkBasis.

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

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.
Gaussian 09W (g09w.exe) latest version 9.0, Gaussian 09W is the Gaussian 09 version for Windows computers. Starting from the fundamental laws of quantum mechanics, Gaussian 09 predicts the energies, molecular structures, vibrational frequencies and molecular properties of molecules and reactions in a wide variety of chemical environments.
Gaussian 16 Rev C.01 Has Been Released: The latest version of Gaussian 16 has been released. Read the release notes here.

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.

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:

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

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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.