XVII.C.1. (III.D.6.) |
Calculated Ionization Energy for SiO (Silicon monoxide)
Experimental Ionization Energy is 11.49 ± 0.2 eVPlease note! These calculated ionizataion 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.
Ionization Energies in eV
semi-empirical | PM3 | |
---|---|---|
composite | G2 | 11.558 |
G3 | 11.519 | |
G3B3 | 11.565 | |
G4 | 11.600 | |
CBS-Q | 11.519 |
Ionization Energies in eV
Ionization Energies in eV
CEP-31G | CEP-31G* | CEP-121G | CEP-121G* | LANL2DZ | SDD | cc-pVTZ-PP | aug-cc-pVTZ-PP | Def2TZVPP | ||
---|---|---|---|---|---|---|---|---|---|---|
hartree fock | HF | 10.189 | 10.487 | 9.977 | 10.406 | 10.505 | 10.039 | 10.402 | ||
density functional | B3LYP | 11.438 | 11.403 | 11.298 | 11.344 | 11.668 | 11.378 | 11.444 | ||
PBEPBE | 11.272 | |||||||||
Moller Plesset perturbation | MP2 | 11.813 | 12.007 | 11.730 | 11.974 | 12.060 | 11.757 | 12.123 |