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

Calculated Electron Affininty for SF2 (sulfur difluoride)

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
6-31G* 6-31+G** TZVP cc-pVTZ
hartree fock HF   0.448 0.320  
density functional B3LYP     1.184  
B3LYPultrafine       0.657
PBEPBEultrafine 0.047      
TPSSh   1.199    
Moller Plesset perturbation MP2     0.505 0.118
MP2=FULL       0.092
MP3=FULL -0.399 0.669    
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.