Gaussian 16w May 2026

| Component | Minimum | Recommended for Production | |-----------|---------|----------------------------| | | Windows 10 64-bit | Windows 11 Pro/Enterprise 64-bit | | CPU | 4 cores (Intel Core i5) | 16–32 cores (AMD Ryzen 9 or Intel Xeon/ Core i9) | | RAM | 16 GB | 64–128 GB (more for large basis sets) | | Storage | 50 GB free (SSD) | 1 TB NVMe SSD + separate 2 TB HDD for scratch files | | GPU | None required (CPU-only) | Not used intentionally (no GPU acceleration in G16) | | Network | TCP/IP for Linda | 1 GbE for multi-machine clusters |

0 1 C -0.1234 1.2345 0.0000 ... (atomic coordinates) gaussian 16w

%chk=caffeine.chk %mem=32GB %nprocshared=16 #p opt freq b3lyp/6-31g(d) scrf=(pcm, solvent=water) Title: Caffeine optimization in water | Component | Minimum | Recommended for Production