XVII.C.1. (III.D.6.) |
Calculated Ionization Energy for SiH (Silylidyne)
Experimental Ionization Energy is 7.89 ± 0.07 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
composite | G2 | 7.860 |
---|---|---|
G3 | 7.935 | |
G3B3 | 7.938 | |
G3MP2 | 7.907 | |
G4 | 7.931 | |
CBS-Q | 7.839 |
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 | 7.646 | 7.567 | 7.532 | 7.484 | 7.847 | 7.509 | 7.487 | ||
density functional | B3LYP | 8.170 | 8.086 | 8.042 | 7.979 | 8.361 | 8.039 | 8.008 | ||
PBEPBE | 8.052 | |||||||||
wB97X-D | 8.110 | 8.017 | 7.970 | 7.904 | 8.333 | 8.028 | ||||
Moller Plesset perturbation | MP2 | 7.535 | 7.692 | 7.445 | 7.624 | 7.718 | 7.432 | 7.781 |