CCCBDB Elelctron affinities page 2

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composite	G2	2.600
	G3	2.540
	G3B3	2.653
	G4	2.655
	CBS-Q	2.514

		STO-3G	3-21G	3-21G*	6-31G	6-31G*	6-31G**	6-31+G**	6-311G*	6-311G**	6-31G(2df,p)	6-311+G(3df,2p)	TZVP	cc-pVDZ	cc-pVTZ	aug-cc-pVDZ	aug-cc-pVTZ	cc-pCVTZ	daug-cc-pVTZ
hartree fock	HF	-4.409	-0.320	-0.320	0.326	0.354	0.354	0.856	0.441	0.441	0.310		0.699	0.229	0.537	0.839	0.805		0.802
density functional	BLYP	-1.928	1.212	1.212	1.919	1.846	1.846	2.637	2.053	2.053	1.840			1.692	2.199
	B3LYP	-1.887	1.365	1.365	2.049	1.988	1.988	2.682	2.166	2.166	1.974		2.512	1.841	2.294	2.662	2.653
	B3LYPultrafine					1.988											2.653
	B3PW91	-1.810	1.522	1.522	2.130	2.070	2.070	2.653	2.216	2.216	2.034			1.932	2.308
	mPW1PW91	-1.905	1.462	1.462	2.061	2.002	2.002	2.588	2.139	2.139	1.963			1.867	2.229
	M06-2X			1.530		2.108
	PBEPBE	-1.757	1.478	1.478	2.111	2.035	2.035	2.733	2.205	2.205	2.013			1.896	2.328
	HSEh1PBE					1.969
	TPSSh					1.953		2.547			1.901				2.184
	wB97X-D			1.435		2.020		2.611		2.148			2.424	2.611	2.227		2.529
	B97D3		1.468			1.998		2.657		2.150		2.618	2.469		2.248		2.605
		STO-3G	3-21G	3-21G*	6-31G	6-31G*	6-31G**	6-31+G**	6-311G*	6-311G**	6-31G(2df,p)	6-311+G(3df,2p)	TZVP	cc-pVDZ	cc-pVTZ	aug-cc-pVDZ	aug-cc-pVTZ	cc-pCVTZ	daug-cc-pVTZ
Moller Plesset perturbation	MP2	-1.395	2.004	2.004	2.835	2.985			2.947	2.959	2.884		3.194		3.160	3.657	3.633	3.162
	MP2=FULL	-1.395	2.004	2.004	2.836				2.896	2.896	2.875				3.143		3.609	3.158
	MP3					1.648
	MP3=FULL					1.640		2.219
	MP4		1.825			2.363
	B2PLYP														2.412
Configuration interaction	CID		0.613	0.613	1.390	1.465			1.542
Configuration interaction	CISD		0.500	0.500	1.253	1.388			1.472
		STO-3G	3-21G	3-21G*	6-31G	6-31G*	6-31G**	6-31+G**	6-311G*	6-311G**	6-31G(2df,p)	6-311+G(3df,2p)	TZVP	cc-pVDZ	cc-pVTZ	aug-cc-pVDZ	aug-cc-pVTZ	cc-pCVTZ	daug-cc-pVTZ
Quadratic configuration interaction	QCISD		0.549	0.549	1.328	1.508	1.508	2.142	1.615	1.615	1.729
Quadratic configuration interaction	QCISD(T)					1.674
Coupled Cluster	CCD		0.821	0.821	1.648	1.798	1.798	2.400	1.841	1.841	1.949
	CCSD(T)					1.680									2.197		2.630	2.201
	CCSD(T)=FULL					1.684									2.190		2.623	2.205
		STO-3G	3-21G	3-21G*	6-31G	6-31G*	6-31G**	6-31+G**	6-311G*	6-311G**	6-31G(2df,p)	6-311+G(3df,2p)	TZVP	cc-pVDZ	cc-pVTZ	aug-cc-pVDZ	aug-cc-pVTZ	cc-pCVTZ	daug-cc-pVTZ

		CEP-31G	CEP-31G*	CEP-121G	CEP-121G*	LANL2DZ	SDD	cc-pVTZ-PP	aug-cc-pVTZ-PP	Def2TZVPP
hartree fock	HF	0.486	0.505	0.570	0.628	0.529	0.533			0.690
density functional	B3LYP	2.248	2.144	2.306	2.233	2.366	2.360			2.485
density functional	PBEPBE									2.516
Moller Plesset perturbation	MP2	3.272	3.013	3.381	3.152	3.323	3.331			3.365

	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 N3 (azide radical)

Calculated Electron Affininty for N₃ (azide radical)