III.D.6.a. (XVII.D.) |
Calculated Electron Affininty for BrO (Bromine monoxide)
Experimental Electron Affinity is 2.353 ± 0.006 eVPlease note! These calculated electron affinity energies have the vibrational zero-point energy (zpe) included, but the zpe has NOT been scaled. Click on an entry for more details, including the ionization energy with a scaled zpe.
Electron Affinities in eV
semi-empirical | PM3 | |
---|---|---|
composite | G2 | 2.517 |
G3 | 2.487 | |
G3B3 | 2.459 | |
G4 | 2.497 | |
CBS-Q | 2.476 |
Electron Affinities in eV
Electron Affinities in eV
CEP-31G | CEP-31G* | CEP-121G | CEP-121G* | LANL2DZ | SDD | cc-pVTZ-PP | aug-cc-pVTZ-PP | Def2TZVPP | ||
---|---|---|---|---|---|---|---|---|---|---|
hartree fock | HF | 0.312 | 0.315 | 0.153 | 0.291 | 0.868 | ||||
density functional | B3LYP | 2.096 | 2.127 | 1.989 | 2.113 | 2.073 | ||||
PBEPBE | 1.899 | |||||||||
Moller Plesset perturbation | MP2 | 2.052 | 2.107 | 1.917 | 1.990 | 2.397 |