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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 …

May 17, 2021 · The following basis sets are stored internally in the Gaussian 16 program (see references cited for full descriptions), listed below by their corresponding Gaussian 16 …

Aug 22, 2019 · Links About Gaussian 16 Input Input Files Syntax Section Ordering Link 0 Commands Running Gaussian16 Preliminaries Running under UNIX Scratch Files Memory …

Apr 23, 2020 · The Berny geometry optimization algorithm in Gaussian is based on an earlier program written by H. B. Schlegel which implemented his published algorithm [Schlegel82].

Jul 23, 2019 · In general, we recommend citing the original references describing the theoretical methods used when reporting results obtained from Gaussian calculations, as well as giving …

Apr 7, 2021 · In Gaussian 16, we use a continuous surface charge formalism that ensures continuity, smoothness and robustness of the reaction field, which also has continuous …

Mar 11, 2022 · G16BASIS: The directory which contains files specifying the standard Gaussian internally stored basis sets, as well as some additional basis sets in the form of general basis …

Gaussian uses the bottom of the well as the zero of energy (BOT) to determine the other thermodynamic quantities, but also prints out the V=0partition function.

Aug 30, 2022 · The UltraFine integration grid (corresponding to Integral=UltraFine) is the default in Gaussian 16. This grid greatly enhances calculation accuracy at reasonable additional cost. …