If you need help with your specific use case (e.g., calculating transition states, NMR, or UV-Vis spectra), let me know and I can provide input file examples or optimization tips for whichever software path you choose.
| Component | Minimum | Recommended (for "new" Windows features) | |-----------|---------|-------------------------------------------| | OS | Windows 10 Pro (64-bit) | Windows 11 Pro / Enterprise (22H2 or newer) | | CPU | 4 cores @ 2.5 GHz | Intel Core i9 or AMD Ryzen 9 (12–16 cores) | | RAM | 8 GB | 32–128 GB (depending on molecule size) | | GPU | None (CPU only) | NVIDIA GTX 1080 or newer (CUDA 11+) | | Storage | 5 GB free | 50 GB SSD (NVMe for scratch files) | | Additional | – | Microsoft MPI (for distributed computing) | download+gaussian+16+windows+new