CCCBDB Elelctron affinities page 2

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semi-empirical	AM1
	PM3
	PM6
composite	G2	3.602
	G3	3.609
	G3B3	3.622
	G4	3.583
	CBS-Q	3.714

		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)	6-311+G(3df,2pd)	TZVP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	cc-pV(T+d)Z	aug-cc-pV(T+d)Z	daug-cc-pVDZ	daug-cc-pVTZ
hartree fock	HF	-1.681	2.096	1.987	2.221	2.123	2.123	2.475	2.476	2.476	2.045		2.401	2.215	1.934	2.156	2.277	2.473	2.381	2.372			2.472	2.380
hartree fock	ROHF		2.100	2.088	2.225	2.225	2.225	2.577	2.579	2.579					2.042	2.308	2.437	2.590	2.538	2.532
density functional	LSDA	0.032	6.875	3.720	3.913	3.931	3.902	4.496	4.475	5.314	3.805			4.109	4.190	5.163		5.075	4.421				4.444	4.422
	BLYP	-0.860	2.793	2.740	2.976	2.940	2.940	3.603	3.508	3.508	2.908			3.189	2.710	3.171		3.611	3.575				3.614	3.578
	B1B95	-0.454		2.950	3.138	3.103	3.103	3.581	3.547	3.547	3.069	3.550		3.270	2.911	3.248		3.591	3.546			3.540	3.591	3.547
	B3LYP	-0.586	3.030	2.976	3.194	3.156	3.156	3.712	3.661	3.661	3.121		3.682	3.364	2.942	3.344	3.510	3.720	3.679	3.674		3.677	3.720	3.679
	B3LYPultrafine		3.030	2.976	3.194	3.156	3.156	3.712	3.661	3.661	3.121	3.682	3.682	3.364	2.942	3.344		3.720	3.679				3.720	3.679
	B3PW91	-0.450	3.139	3.075	3.264	3.222	3.222	3.676	3.658	3.658	3.179			3.390	3.033	3.362		3.689	3.636				3.689	3.636
	mPW1PW91	-0.475	3.108	3.041	3.230	3.184	3.184	3.634	3.604	3.604	3.139			3.341	2.998	3.310		3.651	3.588	3.581			3.651	3.589
	M06-2X	-0.431	3.105	3.065	3.240	3.212	3.212	3.666	3.659	3.659	3.180			3.393	2.989	3.374		3.638	3.639				3.638	3.639
	PBEPBE	-0.628	3.008	2.943	3.160	3.119	3.119	3.692	3.612	3.612	3.079		3.649	3.318	2.910	3.292		3.702	3.655			3.653	3.704	3.657
	PBEPBEultrafine		3.008			3.119	3.119	3.692	3.612				3.649	3.318	2.910	3.292		3.702	3.655				3.704	3.657
	PBE1PBE	-0.531		3.011	3.208	3.162	3.162	3.621	3.587	3.587	3.117			3.317	2.971	3.285		3.631	3.574				3.631	3.574
	HSEh1PBE	-0.539	3.068	3.002	3.196	3.150	3.150	3.614	3.586	3.586	3.105			3.313	2.960	3.282		3.627	3.569				3.627	3.569
	TPSSh	-0.563	3.056	2.987	3.188	3.141	3.141	3.603	3.579	3.579	3.095			3.314	2.948	3.283	3.416	3.615	3.567	3.560			3.616	3.569
	wB97X-D	-0.513	3.157	3.103	3.275	3.238	3.238	3.704	3.679	3.679	3.207			3.400	3.060	3.380	3.529	3.735	3.665	3.657			3.735	3.665
	B97D3	-0.471	2.967	2.902	3.100	3.057	3.057	3.619	3.559	3.559	3.020	3.584		3.275	2.864	3.249	3.409	3.640	3.589	3.583			3.641	3.592
		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)	6-311+G(3df,2pd)	TZVP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	cc-pV(T+d)Z	aug-cc-pV(T+d)Z	daug-cc-pVDZ	daug-cc-pVTZ
Moller Plesset perturbation	MP2	-1.681	2.479	2.528	2.659	2.712	2.712	3.185	3.133	3.133	3.071		3.594	2.899	2.604	3.218	3.531	3.554	3.632	3.721			3.561	3.637
	MP2=FULL	-1.681	2.482	2.531	2.660	2.715	2.715	3.187	3.131	3.131	3.078			2.899	2.607	3.220	3.536	3.558	3.635	3.726			3.565	3.640
	ROMP2			-0.955	1.536	-0.732	-0.732	-0.405	-0.586	-0.586	-1.927				-1.070	-2.169		-0.797			-2.190
	MP3					2.636		3.090						2.802	2.513	3.110							3.449	3.504
	MP3=FULL		2.487	2.443	2.673	2.634	2.634	3.088	3.024	3.024	2.973			2.797	2.512	3.103		3.442	3.494				3.447	3.497
	MP4		2.493			2.624				3.038				2.792	2.481	3.109		3.448	3.538				3.458	3.543
	MP4=FULL		2.492			2.624				3.034					2.481	3.107		3.450	3.538				3.460	3.544
	B2PLYP	-0.991	2.796	2.765	2.964	2.946	2.946	3.465	3.413	3.413	3.035			3.136	2.765	3.221		3.591	3.583				3.595	3.586
	B2PLYP=FULL	-0.991	2.797	2.766	2.965	2.947	2.947	3.466	3.413	3.413	3.037			3.136	2.766	3.222		3.592	3.584				3.596	3.586
	B2PLYP=FULLultrafine	-0.991	2.797	2.766	2.965	2.947	2.947	3.466	3.413	3.413	3.037			3.136	2.766	3.222		3.592	3.584
Configuration interaction	CID		2.478	2.384	2.663	2.567			2.953														3.298	3.308
Configuration interaction	CISD		2.477	2.381	2.662	2.561			2.952														3.292	3.296
		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)	6-311+G(3df,2pd)	TZVP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	cc-pV(T+d)Z	aug-cc-pV(T+d)Z	daug-cc-pVDZ	daug-cc-pVTZ
Quadratic configuration interaction	QCISD		2.496	2.417	2.685	2.603	2.603	3.070	3.001	3.001	2.900			2.764	2.468	3.039		3.384	3.415				3.390	3.418
	QCISD(T)					2.614			3.027					2.780	2.468	3.083		3.433	3.506				3.442	3.510
	QCISD(T)=FULL					2.613		3.104							2.468	3.081	3.419	3.433	3.505	3.604			3.443	3.509
	QCISD(TQ)					2.612		3.100							2.468	3.079	3.413	3.429	3.496	3.594
	QCISD(TQ)=FULL					2.612		3.099							2.468	3.076	3.412	3.429	3.494	3.594
Coupled Cluster	CCD		2.497	2.420	2.686	2.610	2.610	3.061	3.003	3.003	2.917			2.770	2.477	3.054		3.387	3.427	3.522		3.425	3.390	3.430
	CCSD					2.603					2.902			2.763	2.468	3.041	3.346	3.381	3.415	3.508			3.386	3.418
	CCSD=FULL					2.602					2.903			2.760	2.468	3.038	3.343	3.381	3.413	3.505			3.386	3.415
	CCSD(T)					2.614	2.614	3.103	3.026	3.026	2.931		3.467	2.780	2.468	3.084	3.421	3.431	3.506	3.606			3.440	3.510
	CCSD(T)=FULL					2.614		2.842						2.776	2.468	3.082	3.420	3.431	3.504	3.605			3.440	3.509
		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)	6-311+G(3df,2pd)	TZVP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	cc-pV(T+d)Z	aug-cc-pV(T+d)Z	daug-cc-pVDZ	daug-cc-pVTZ

		CEP-31G	CEP-31G*	CEP-121G	CEP-121G*	LANL2DZ	SDD	cc-pVTZ-PP	aug-cc-pVTZ-PP	Def2TZVPP
hartree fock	HF	2.283	2.170	2.352	2.241	1.879	1.830			2.143
density functional	B1B95				3.177
	B3LYP	3.282	3.236	3.307	3.265	2.791	2.791			3.316
	B3LYPultrafine				3.265	2.791
	PBEPBE									3.265
	wB97X-D	3.315	3.276	3.360	3.324	2.917	2.934
Moller Plesset perturbation	MP2	2.647	2.839	2.789	2.952	2.133	2.171			3.216
Moller Plesset perturbation	ROMP2	1.828		1.699		1.371	0.950

	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 Cl (Chlorine atom)