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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  
Electron Affinities in eV
Methods with standard basis sets
TZVP
hartree fock HF -3.496
density functional B3LYP -1.698
Moller Plesset perturbation MP2FC -3.111
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.