CCCBDB Elelctron affinities page 2

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	-0.211	-0.991	-0.224	-0.984	-0.333	-0.333			-1.079
density functional	B3LYP	0.597	0.041	0.643	0.122	0.473	0.465			0.229
PBEPBE									0.038
wB97X-D	0.524	-0.031	0.583	0.057	0.367	0.361
Moller Plesset perturbation	MP2	-0.069	-0.372	0.013	-0.276	-0.139	-0.136			-0.077

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

density functional

B3LYP

PBEPBE

wB97X-D

Moller Plesset perturbation

MP2

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calculated Electron Affininty for O2 (Oxygen diatomic)

Calculated Electron Affininty for O₂ (Oxygen diatomic)