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Calculated Electron Affininty for Ar (Argon atom)

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Electron Affinities in eV
Methods with predefined basis sets
semi-empirical PM6  
composite G4 -2.084

Electron Affinities in eV
Methods with standard basis sets
3-21G 3-21G* 6-31G* 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) 6-311+G(3df,2p) TZVP cc-pVDZ cc-pVTZ aug-cc-pVTZ daug-cc-pVTZ
hartree fock HF     -15.970           -15.272       -1.036
density functional BLYP     -14.367                    
B3LYP                 -13.620        
B3LYPultrafine                       -3.130  
M06-2X   -16.698                      
PBE1PBE     -14.470                    
TPSSh     -14.637 -2.865     -10.139       -13.222    
wB97X-D   -16.865 -14.580 -2.978   -12.208     -13.918 -2.978 -13.430 -3.231  
B97D3 -17.372   -14.190 -3.034   -11.782   -3.351 -13.450   -12.974 -3.515  
3-21G 3-21G* 6-31G* 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) 6-311+G(3df,2p) TZVP cc-pVDZ cc-pVTZ aug-cc-pVTZ daug-cc-pVTZ
Moller Plesset perturbation MP2     -15.381   -13.263       -15.118        
MP2=FULL                       -3.370  
MP3       -15.456                  
MP3=FULL     -15.396 -3.091                  
MP4                       -3.177  
Coupled Cluster CCSD(T)=FULL                   -21.036      
3-21G 3-21G* 6-31G* 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) 6-311+G(3df,2p) TZVP cc-pVDZ cc-pVTZ aug-cc-pVTZ daug-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
hartree fock HF                 -15.150
density functional B3LYP                 -13.501
PBEPBE                 -13.303
Moller Plesset perturbation MP2                 -14.779
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.