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. List of Gaussian Keywords # ADMP; BD; BOMD; CacheSize; CASSCF; CBS Methods; CBSExtrapolate; CCD and CCSD; Charge; ChkBasis. General overview of my workflow when using G09. This can be used a tutorial and example files can be found at: https://github.com/gclen/gaussianfiles.

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.

Program is divided into a series of modules known as. Different links perform different parts of the calculation, and the various links execute sequentially, making up the total job.) Gaussian 09W. Normal termination of Gaussian 09 at Tue Nov 1 15.-Cite. RMIT University. Run with CAM-B3LYP and other options. Though log file final.

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.

Gaussian 09 Citation Endnote

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].

Gaussian 09 Reference

Gaussian 09w Package Software Package

Last update: 01 November 2016.