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Calculated Electron Affininty for D (Deuterium atom)

Experimental Electron Affinity is 0.75458 ± 0.000087 eV
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Electron Affinities in eV
Methods with predefined basis sets

Electron Affinities in eV
Methods with standard basis sets
3-21G 3-21G* 6-31G* 6-31+G** 6-311G** TZVP cc-pVDZ cc-pVTZ aug-cc-pVTZ
density functional BLYP     -1.255            
M06-2X   -1.294              
wB97X-D   -1.632 -1.104 -1.104 0.139 0.134 -1.104 0.140 0.811
B97D3 -1.560   -1.016 -1.016 0.218       0.941
3-21G 3-21G* 6-31G* 6-31+G** 6-311G** TZVP cc-pVDZ 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.