CCCBDB Elelctron affinities page 2

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composite	G2	1.194
	G3	1.222
	G3B3	1.157
	G4	1.206
	CBS-Q	1.223

		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	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	daug-cc-pVTZ
hartree fock	HF	-2.955	1.585	0.122	2.702		0.610	1.185	0.720	0.720	0.333		1.089	0.657	0.693	0.784	1.357	1.017	0.922	1.015
hartree fock	ROHF		1.478	-0.034		0.429	0.429	1.002	0.537	0.537				0.469	0.467	0.554	1.150	0.793	0.697
density functional	LSDA	-3.956	1.208	0.364	2.302	1.086	1.086	1.935	1.340	1.340	0.893			1.045	1.391		2.055	1.833
	BLYP	-4.389	0.582	-0.217	1.667	0.502	0.501	1.446	0.784	0.784	0.315			0.455	0.823
	B1B95	-3.664		0.173	2.338	0.798	0.798	1.546	1.004	1.004	0.571			0.795	0.997		1.676	1.408
	B3LYP	-3.709	1.123	0.167	2.210	0.832	0.832	1.659	1.059	1.059	0.614		1.474	0.809	1.084	1.233	1.783	1.530	1.451
	B3LYPultrafine					0.832												1.530
	B3PW91	-3.652	1.223	0.253	2.265	0.866	0.866	1.589	1.061	1.061	0.652			0.861	1.078
	mPW1PW91	-3.562	1.284	0.276	2.326	0.877	0.877	1.598	1.069	1.069	0.660			0.875	1.075
	M06-2X			0.306		0.862						1.276
	PBEPBE	-4.319	0.746	-0.070	1.792	0.598	0.598	1.456	0.844	0.844	0.424			0.569	0.879
	PBE1PBE					0.830
	HSEh1PBE		1.215			0.830		1.567							1.036
	TPSSh					0.779		1.522			0.574				1.000
	wB97X-D			0.206		0.823		1.548		0.999			1.373	1.391	1.001			1.387
	B97D3		0.851			0.641		1.447		0.872		1.201	1.241		0.886			1.333		1.348
		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	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	daug-cc-pVTZ
Moller Plesset perturbation	MP2	-6.190	-0.421	-0.957		0.016	0.016	0.867	0.099	0.099	0.046		0.601	-0.063	0.465		1.150	1.033
	MP2=FULL	-6.198	-0.426	-0.965		0.002	0.002	0.852	0.096	0.096	0.023			-0.072	0.444			1.006
	ROMP2			-11.061		-13.698	-13.698	-13.396	-14.561	-14.561	-16.796			-13.970	-17.495		-14.351
	MP3					0.406
	MP3=FULL					0.391		1.134
	MP4		-0.728			-0.036				0.038					0.471
	B2PLYP					0.482									0.803
	B2PLYP=FULLultrafine					0.478								0.438	0.797
Configuration interaction	CID		0.735	-0.388	1.943	0.425			0.502
Configuration interaction	CISD		0.659	-0.415	1.881	0.410			0.489
		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	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	daug-cc-pVTZ
Quadratic configuration interaction	QCISD		0.312	-0.586	1.540	0.316	0.316	1.141	0.407	0.407	0.336			0.270	0.744
Quadratic configuration interaction	QCISD(T)					0.186								0.124	0.644		1.365	1.227
Coupled Cluster	CCD		0.543	-0.517	1.775	0.360	0.360	1.132	0.438	0.438				0.314	0.746		1.422	1.243
	CCSD					0.345
	CCSD(T)					0.199								0.137	0.653		1.368	1.229
	CCSD(T)=FULL					-191.150
		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	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	daug-cc-pVTZ

		CEP-31G	CEP-31G*	CEP-121G	CEP-121G*	LANL2DZ	SDD	cc-pVTZ-PP	aug-cc-pVTZ-PP	Def2TZVPP
hartree fock	HF	3.157	1.070	3.075	1.049	2.969	2.775			0.675
density functional	B3LYP	2.725	1.325	2.698	1.326	2.510	2.392			1.114
density functional	PBEPBE									0.927
Moller Plesset perturbation	MP2		0.526	1.339	0.551	1.146	1.033			0.539

	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 SO2 (Sulfur dioxide)

Calculated Electron Affininty for SO₂ (Sulfur dioxide)