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Calculated Electron Affininty for SF2 (sulfur difluoride)

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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
composite G2 0.750
G3 0.789
CBS-Q 0.750

Electron Affinities in eV
Methods with standard basis sets
STO-3G 3-21G 6-31G 6-311G** TZVP cc-pVDZ cc-pVTZ
hartree fock HF -5.871 0.471 1.681        
density functional BLYP   0.679          
B1B95 -5.919   1.826        
B3LYP -5.929 0.831          
B3PW91 -5.842 0.888          
mPW1PW91 -5.822 0.858          
M06-2X     1.787        
PBE1PBE -5.932            
HSEh1PBE -5.925 0.812 1.965        
B97D3   0.905          
STO-3G 3-21G 6-31G 6-311G** TZVP cc-pVDZ cc-pVTZ
Moller Plesset perturbation MP2 -6.848 -0.037          
MP2=FULL -6.858 -0.040          
MP4   -0.046   1.003   0.727  
MP4=FULL   -0.049   1.000      
Configuration interaction CID   0.050 1.439        
CISD     1.445        
STO-3G 3-21G 6-31G 6-311G** TZVP cc-pVDZ cc-pVTZ
Quadratic configuration interaction QCISD     1.411        
Coupled Cluster CCD   -0.014 1.364        
CCSD         0.518 -0.068 0.165
STO-3G 3-21G 6-31G 6-311G** TZVP cc-pVDZ cc-pVTZ

Electron Affinities in eV
Methods with effective core potentials (select basis sets)
CEP-31G CEP-31G* CEP-121G CEP-121G* LANL2DZ SDD cc-pVTZ-PP aug-cc-pVTZ-PP Def2TZVPP
density functional B3LYP           2.522      
Moller Plesset perturbation MP2 2.422   2.413   2.161 2.067      
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.