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XVII.C.1.

Calculated Ionization Energy for SiH4 (Silane)

Experimental Ionization Energy is 11 ± 0.02 eV
Please 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.
Original data displayed. Press to display differences.
Differences displayed. Press to display original data.

Ionization Energies in eV
Methods with predefined basis sets
semi-empirical PM6  
composite G4 11.230

Ionization Energies in eV
Methods with standard basis sets
3-21G 6-31G* 6-31+G** TZVP cc-pVTZ
hartree fock HF       10.629  
density functional SVWN 11.733   11.492    
B3LYP       11.195  
M06-2X   11.400      
HSEh1PBE   11.297      
TPSSh     11.230    
Moller Plesset perturbation MP2       11.013  
MP3=FULL   11.149 11.074    
B2PLYP   11.280     11.159
For descriptions of the methods (AM1, HF, MP2, ...) and basis sets (3-21G, 3-21G*, 6-31G, ...) see the glossary in section I.C. Predefined means the basis set used is determined by the method.