Gaussian 16W: A Gateway to Advanced Computational Chemistry on Windows
Gaussian 16W is available in both 64-bit and 32-bit versions, with significant performance differences between them: Requirement 64-bit Version (Recommended) 32-bit Version Operating System Windows 10/11, Server 2019+ Windows 7/8/10/11 Memory (RAM) >2 GB (No upper limit) Limited to 2 GB Disk Space 1.5 GB (Storage) + 2 GB (Scratch) 1.7 GB (Storage) + 500 MB (Scratch) Processor Any AMD64 or Intel64 (No core limit) Limited to 4 cores gaussian 16w
%chk: Checkpoint file (must be on a local fast drive, not network).%rwf, %int, %d2e: Read-write, integral, two-electron files. On Windows, these can be directed to a RAM disk for speed.g16 < caffeine.gjf > caffeine.log
Optimize transition states for Diels-Alder reactions, SN2 substitutions, or carbene insertions. Use IRC (Intrinsic Reaction Coordinate) to confirm the transition state connects reactants to products. Gaussian 16W: A Gateway to Advanced Computational Chemistry
Molecular Energies: Predicts total system energy and heat of formation. Gaussian 16W is available in both 64-bit and