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Oct 25, 2018 · With GaussView, you can build or import the molecular structures that interest you, set up, launch, monitor and control Gaussian calculations, and view the predicted results …

Oct 14, 2019 · Gaussian 16 is licensed for a wide variety of computer systems. All versions of Gaussian 16 contain every scientific/modeling feature, and none imposes any artificial …

The thermochemistry output from Gaussian is summarized in Table 1. Once you have the data for all the relevant species, you can calculate the quantities you are interested in. Unless …

GaussView 6 is the latest iteration of a graphical interface used with Gaussian. It aids in the creation of Gaussian input files, enables the user to run Gaussian calculations from a …

Jan 5, 2017 · This calculation type keyword requests that a potential energy surface (PES) scan be done. A rigid PES scan is performed, which consists of single point energy evaluations over …

Jan 5, 2017 · This keyword specifies the uses of molecular symmetry within the calculation. By default, the program attempts to identify the point group of the molecule. If symmetry is in use, …

Dec 2, 2021 · Include your version of Gaussian, including the minor rev (e.g., Gaussian 16W Rev A.03). Include your computer type (vendor and architecture), and operating system name and …

Density Functional (DFT) MethodsSolvents List SCRF

Jan 5, 2017 · Requests an excited state calculation using the EOM-CCSD method [Koch90, Stanton93, Koch94a, Kallay04, Caricato12a, Caricato12b, Caricato13, Caricato13a, …