NFN | ||
Thermodynamic Parameters | HF/3-21G* | DFT/3-21G* |
Zero-point correction (Hartree/Particle) | 0.312279 | 0.289931 |
Thermal correction to Energy | 0.331241 | 0.310499 |
Thermal correction to Enthalpy | 0.332185 | 0.311443 |
Thermal correction to Gibbs Free Energy | 0.263418 | 0.240011 |