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Calculated Electron Affininty for H2S (Hydrogen sulfide)

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
Methods with predefined basis sets
semi-empirical PM6  
composite G3B3 -1.389
G4 -1.162

Electron Affinities in eV
Methods with standard basis sets
3-21G 3-21G* 6-31G* 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) TZVP cc-pVDZ cc-pVTZ aug-cc-pVTZ
hartree fock HF     -1.486         -3.496      
density functional SVWN               -0.889      
BLYP     -2.189                
B3LYP     -1.483       -2.221 -1.698      
M06-2X   48.201                  
PBE1PBE     -2.152                
TPSSh     -2.076 -1.322     -2.171     -1.662  
wB97X-D   -2.463 -2.240 -1.370   -1.409   -1.567 -1.876 -1.595 -0.568
B97D3 -2.131   -2.166     -1.273         -0.555
3-21G 3-21G* 6-31G* 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) TZVP cc-pVDZ cc-pVTZ aug-cc-pVTZ
Moller Plesset perturbation MP2     -2.808   -0.948     -3.111      
MP3=FULL     -2.833 -1.579              
3-21G 3-21G* 6-31G* 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) TZVP cc-pVDZ 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.