Gaussian 16w -

Even on Windows, you can run a single Gaussian job across multiple networked machines. Example setup:

By default, Windows may spread threads across all cores, including hyperthreads. For Gaussian, physical cores are better than logical (HT). Use Windows PowerShell to set affinity: start /affinity FFF g16w job.com job.log (FFF = mask for first 12 physical cores). gaussian 16w

Compared to its predecessor (Gaussian 09), Gaussian 16 introduced significant enhancements that are accessible through the Windows interface: Even on Windows, you can run a single

Gaussian 16W supports basis sets like aug-cc-pVTZ, def2-TZVPP, and LANL2DZ for transition metals. Place basis set definitions in a separate file linked via #p gen and @basis.txt. Even on Windows