CCCBDB Elelctron affinities page 2

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composite	G2	2.311
	G3	2.330
	G3B3	2.328
	G3MP2	2.357
	G4	2.292
	CBS-Q	2.383

		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	cc-pV(T+d)Z	daug-cc-pVTZ
hartree fock	HF	-5.549	0.827	0.615	0.985	0.793	0.788	1.144	1.127	1.130	0.721	1.071	0.862	0.518	0.807	0.942	1.136	1.076	1.069	0.801	1.075
hartree fock	ROHF		0.847	0.720	1.006	0.899	0.893	1.134	1.235	1.238			0.975	0.632	0.958	1.098	1.260	1.231	1.227
density functional	LSDA	-3.904	2.414	2.431	2.563	2.493	2.545	3.108	3.009	3.071	2.564		2.724	2.278	2.806		3.113	3.061
	BLYP	-4.641	1.478	1.372	1.697	1.611	1.612	2.242	2.172	2.184	1.595		1.848	1.337	1.824		2.266	2.249
	B1B95	-4.331		1.573	1.854	1.762	1.851	2.225	2.180	2.192	1.747		1.912	1.519	1.894		2.240	2.217
	B3LYP	-4.406	1.710	1.591	1.908	1.808	1.808	2.339	2.298	2.309	1.787	2.321	2.002	1.542	1.979	2.144	2.360	2.339	2.336
	B3LYPultrafine		1.711			1.808	1.808	2.339	2.299				2.002	1.542	1.979		2.360	2.339
	B3PW91	-4.328	1.815	1.689	1.971	1.869	1.870	2.301	2.272	2.285	1.844		2.020	1.624	1.997		2.323	2.293
	mPW1PW91	-4.363	1.806	1.656	1.941	1.850	1.851	2.277	2.240	2.234	1.804		1.972	1.607	1.965		2.283	2.247
	M06-2X	-4.305	1.779	1.668	1.987	1.876	1.876	2.308	2.294	2.303	1.860		2.035	1.615	2.020		2.301	2.308
	PBEPBE	-4.499	1.688	1.577	1.874	1.787	1.788	2.329	2.266	2.278	1.766	2.308	1.971	1.528	1.948		2.352	2.328
	PBEPBEultrafine		1.687			1.787	1.788	2.329	2.266				1.971	1.528	1.948		2.352	2.329
	PBE1PBE	-4.433		1.630	1.922	1.814	1.814	2.251	2.215	2.227	1.786		1.952	1.564	1.927		2.270	2.238
	HSEh1PBE	-4.438	1.748	1.618	1.910	1.802	1.803	2.246	2.215	2.227	1.775		1.950	1.554	1.923		2.270	2.235
	TPSSh		1.751	1.616	1.912	1.803	1.803	2.237	2.206		1.771		1.950	1.558	1.923		2.260	2.228
	wB97X-D			1.719		1.890		2.335		2.309			2.039	2.335	2.016			2.325
	B97D3		1.639			1.712		2.261		2.215		2.238	1.921		1.893			2.262
		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	cc-pV(T+d)Z	daug-cc-pVTZ
Moller Plesset perturbation	MP2	-5.556	1.131	1.092	1.358	1.326	1.346	1.825	1.759	1.804	1.696		1.539	1.199	1.875	2.167	2.203	2.317	2.387
	MP2=FULL	-5.560	1.133	1.095	1.360	1.329	1.349	1.827	1.762	1.807	1.703		1.539	1.202	1.877	2.171	2.207	2.320	2.392	1.875
	ROMP2	-5.550		1.085	1.363	1.319	1.339	1.817	1.753	1.796	1.673		1.527	1.186	1.848		2.185
	MP3					1.280		1.299					1.476	1.142	1.811
	MP3=FULL					1.278		1.757					1.472	1.141	1.805
	MP4		1.136			1.279				1.755			1.479	1.125	1.828		2.145	2.277
	MP4=FULL		1.136			1.279				1.755				1.125	1.826		2.146	2.276
	B2PLYP	-4.833	1.471	1.368	1.677	1.589	1.595	2.101	2.052	2.073	1.693		1.778	1.366	1.871		2.242	2.260
	B2PLYP=FULL	-4.834	1.471	1.369	1.677	1.590	1.596	2.102	2.053	2.073	1.695		1.779	1.367	1.871		2.243	2.261
Configuration interaction	CID		1.111	0.978	1.339	1.207			1.603						1.638
Configuration interaction	CISD			0.978	1.336	1.203			1.604						1.629
		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	cc-pV(T+d)Z	daug-cc-pVTZ
Quadratic configuration interaction	QCISD		1.130	-46.651	1.365	1.253	1.271	1.740	1.667	1.706	1.582		1.442	1.102	1.744		2.060	2.139
	QCISD(T)					1.265			1.699				1.463	1.109	1.799		2.124	2.240
	QCISD(T)=FULL					1.265		1.777						1.110	1.797	2.099	2.125	2.238	2.305
	QCISD(TQ)					1.263		1.774						1.108	1.795	2.096	2.122	2.232	2.298
	QCISD(TQ)=FULL					1.263		1.773						1.109	1.792	2.093	2.122	2.230
Coupled Cluster	CCD		1.133	1.018	1.368	1.256	1.276	1.730	1.665	1.705	1.593		1.445	1.107	1.755		2.062	2.150
	CCSD					1.251					1.582		1.440	1.101	1.744	2.017	2.057	2.139	2.199
	CCSD=FULL					1.251					1.581		1.436	1.101	1.741	2.014	2.057	2.135	2.196
	CCSD(T)					1.264	1.284	1.775	1.698			2.161	1.462	1.109	1.799	2.102	2.122	2.239	2.307	1.794
	CCSD(T)=FULL					1.265							1.459	1.109	1.797	2.100	2.123	2.238	2.306
		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	cc-pV(T+d)Z	daug-cc-pVTZ

		CEP-31G	CEP-31G*	CEP-121G	CEP-121G*	LANL2DZ	SDD	cc-pVTZ-PP	aug-cc-pVTZ-PP	Def2TZVPP
hartree fock	HF	1.048	0.834	1.120	0.924	0.773	0.664			0.812
density functional	B3LYP	2.030	1.916	2.076	1.975	1.695	1.584			1.977
density functional	PBEPBE									1.945
Moller Plesset perturbation	MP2	1.390	1.444	1.525	1.578	1.009	0.954			1.885

	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 HS (Mercapto radical)