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

Calculated Electron Affininty for CH3OH (Methyl alcohol)

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
semi-empirical PM6  

Electron Affinities in eV
Methods with standard basis sets
3-21G 6-31G* 6-31+G** TZVP
hartree fock HF       -3.297
density functional SVWN -2.835 -2.473 -0.798  
B3LYP       -2.300
M06-2X   -3.158    
HSEh1PBE   -2.987    
Moller Plesset perturbation MP2FC       -2.797
B2PLYP   -3.134 -1.594  
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.