III.D.6.a. (XVII.D.) |
Calculated Electron Affininty for CH4 (Methane)
Please 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 | -0.588 |
---|---|---|
G3 | 0.198 | |
G3B3 | -0.350 | |
G4 | -0.603 | |
CBS-Q | 0.112 |
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 | -3.827 | -3.837 | |||||||
density functional | B3LYP | -2.862 | -2.865 | |||||||
wB97X-D | -3.245 | -3.238 | ||||||||
Moller Plesset perturbation | MP2 | -3.423 | -3.406 | -6.384 |