Form of IBF | TE au | ΔE | IP eV | Ea | Dip. Mom. D |
S-IBF | −656.5408 | 0.0010397 au | 6.6837 | 0.8879 | 2.2182 |
R-IBF | −656.5419 | 0.0282917 eV | 6.6766 | 0.9048 | 1.4383 |