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III.D.6.a. (XVII.D.)

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 G4 -1.162

Electron Affinities in eV
Methods with standard basis sets
6-31G* 6-31+G** TZVP
hartree fock HF -2.881   -3.496
density functional B3LYP -1.483   -1.698
PBE1PBE -2.152    
TPSSh   -1.322  
Moller Plesset perturbation MP2     -3.111
MP3=FULL -2.833 -1.579  
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.