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Calculated Electron Affininty for FHF (FHF)

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

Electron Affinities in eV
Methods with standard basis sets
3-21G 3-21G* 6-31G* 6-31+G** 6-311G** TZVP cc-pVDZ cc-pVTZ aug-cc-pVTZ
density functional BLYP     3.160            
M06-2X   4.723              
wB97X-D   3.146 3.879 5.347 4.363 5.019 5.347 4.673 5.267
B97D3 2.315   3.455   4.022       5.116
3-21G 3-21G* 6-31G* 6-31+G** 6-311G** 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.