| System / Task | Rev. A.03 (time / memory) | Rev. C.01 (time / memory) | Improvement | |---------------|---------------------------|---------------------------|--------------| | B3LYP/6-31G* on caffeine (24 atoms) | 48 sec / 1.2 GB | 31 sec / 0.9 GB | 35% faster, 25% less RAM | | MP2/cc-pVTZ on a tripeptide (C48H74N12O15) | 14.2 hr / 64 GB (crashed on 32 GB) | 8.7 hr / 41 GB | 39% faster, 36% less memory | | CCSD(T)/cc-pVDZ on benzene dimer (12 atoms) | 6.3 hr (32 cores) | 4.1 hr (32 cores) | 35% faster | | DFT geometry opt. on a MOF cluster (312 atoms) | 22 hr (crashed twice) | 11 hr (stable) | 50% faster, stable completion |
| Task | Speedup / Improvement in C.01 vs B.01 | |------|----------------------------------------| | Single-point DFT (B3LYP/def2-TZVP) on 500-atom system | ~10% faster (better screening) | | CCSD(T)/cc-pVDZ on medium molecule (30 atoms) | ~5% faster (CD improvements) | | Frequency calculation (analytical Hessian) | No change | | SCF failures for transition metal complexes | ~30% reduction in failures | | Geometry optimization convergence | ~20% fewer "Maximum steps exceeded" errors | gaussian 16 revision c.01
Fully compatible with 64-bit Windows 10 and 11 environments (often referred to as G16W). | System / Task | Rev
No software is perfect. Users have reported specific issues with Revision C.01: on a MOF cluster (312 atoms) | 22