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Calculated Electron Affininty for NF3 (Nitrogen trifluoride)

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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

Electron Affinities in eV
Methods with standard basis sets
3-21G 3-21G* 6-31G
density functional LSDA -0.076 -0.076  
BLYP     1.283
PBEPBE -0.235 -0.235 1.193
B97D3 0.147    
Moller Plesset perturbation ROMP2     -13.469
3-21G 3-21G* 6-31G
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.