III.D.6.a. (XVII.D.) |
Calculated Electron Affininty for BO (boron monoxide)
Experimental Electron Affinity is 2.832 ± 0.091 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
composite | G2 | 2.599 |
---|---|---|
G3 | 2.581 | |
G3B3 | 2.585 | |
G4 | 2.610 | |
CBS-Q | 2.563 |
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 | 1.357 | 1.210 | 1.409 | 1.292 | 1.289 | 1.299 | 1.356 | ||
density functional | B3LYP | 2.352 | 2.214 | 2.415 | 2.316 | 2.288 | 2.279 | 2.500 | ||
PBEPBE | 2.317 | |||||||||
Moller Plesset perturbation | MP2 | 1.781 | 1.825 | 1.889 | 1.952 | 1.681 | 1.695 | 2.268 |