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Calculated Electron Affininty for AlH3 (aluminum trihydride)

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
3-21G* 6-31G* cc-pVTZ aug-cc-pVTZ
hartree fock HF   -0.480    
density functional B3LYP   0.102 0.186  
M06-2X -0.050      
wB97X-D       0.257
B97D3       0.312
3-21G* 6-31G* cc-pVTZ aug-cc-pVTZ
Moller Plesset perturbation MP2   -0.310 -0.044  
3-21G* 6-31G* cc-pVTZ aug-cc-pVTZ
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.