Gaussian 16w _verified_ -
A typical DFT job in Gaussian 16W uses the route line:
: You can set up a series of jobs to run sequentially, which is useful for processing multiple molecules overnight. Input and Output Basics gaussian 16w
The "W" version is specifically tailored for the Windows ecosystem. It often pairs with A typical DFT job in Gaussian 16W uses
: Includes a wide variety of Density Functional Theory (DFT) functionals (e.g., B3LYP, MN15) and Hartree-Fock (HF) methods. MN15) and Hartree-Fock (HF) methods.