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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

Ionization Energies in eV
Methods with standard basis sets
3-21G 3-21G* 6-31G* 6-311G* TZVP Def2TZVPP cc-pVTZ aug-cc-pVTZ
hartree fock HF     10.768   10.629 10.611    
density functional BLYP     11.099          
M06-2X   11.550 11.400          
HSEh1PBE 11.452   11.297          
TPSSh     11.375          
wB97X-D   11.568 11.488         11.212
B97D3 11.387           10.661  
3-21G 3-21G* 6-31G* 6-311G* TZVP Def2TZVPP cc-pVTZ aug-cc-pVTZ
Moller Plesset perturbation MP2     11.120 11.128        
MP3=FULL     11.149          
B2PLYP     11.280          
3-21G 3-21G* 6-31G* 6-311G* TZVP Def2TZVPP cc-pVTZ aug-cc-pVTZ
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.