return to home page

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

Calculated Electron Affininty for ZnF (Zinc monofluoride)

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
6-31G* 6-31+G** TZVP cc-pVTZ
hartree fock HF 0.311   0.484  
density functional B3LYP     1.726  
PBE1PBE 1.175      
TPSSh   1.835    
Moller Plesset perturbation MP2     1.040  
MP3=FULL 0.918 1.688    
B2PLYP       1.670
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.