For calculations, maximize available memory allocation up to 80% of total physical RAM to keep the analytical transformations entirely within the system memory. Utilizing Advanced CPU Instructions
%chk=water.chk # Checkpoint file %nprocshared=8 # Number of cores %mem=16GB # Memory #p B3LYP/6-31G(d) opt freq # Route section gaussian 16 linux
Before installing Gaussian 16 (G16) on a Linux machine, ensure your hardware and software meet the necessary requirements to prevent runtime bottlenecks. Hardware Considerations For calculations, maximize available memory allocation up to