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Calculated Electron Affininty for AlH (aluminum monohydride)

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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 G4 0.203

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     -0.498           -0.479       -0.141
density functional BLYP     -0.238                    
B3LYP                 -0.054        
B3LYPultrafine                       0.301  
M06-2X   -0.321 -0.220                    
PBE1PBE     0.048                    
HSEh1PBE 0.025   0.038 0.251             0.100    
TPSSh     0.058 0.238     0.071       0.107    
wB97X-D   -0.122 -0.075 0.124   0.051     -0.046 0.124 -0.005 0.219  
B97D3 -0.134   -0.121 0.098   0.020   0.136 -0.102   -0.056 0.214  
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     -0.448   -0.281       -0.414        
MP3=FULL     -0.459 -0.209                  
MP4                     -0.109    
B2PLYP     -0.278               -0.136    
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                 -0.424
density functional B3LYP                 -0.043
PBEPBE                 0.060
Moller Plesset perturbation MP2                 -0.205
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.