CCCBDB Ionization Energy page 2

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semi-empirical	PM3
composite	G3B3	11.807
	G3MP2	11.791
	G4	11.799

		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	Def2TZVPP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ
hartree fock	HF	8.495	10.474	10.585	10.793	15.548	10.766	10.820	10.774	10.774	10.748		10.767	10.761	10.803	10.753	10.750	10.826	10.755	10.750
hartree fock	ROHF		10.477	10.600	10.799	10.780	10.780	10.834	10.796	10.796					10.818	10.772		10.841	10.772
density functional	LSDA	10.341	5.712	12.307	12.524	12.497	12.497	12.564	12.578	12.585	12.451				12.553	12.611		12.650
	BLYP		11.326	11.460	11.659	11.654	11.693	11.771	11.819	11.819	11.642				11.712	11.764
	B1B95			11.623	11.855	11.758	11.851	11.925	11.863	11.863	11.833				11.852	11.786		11.848
	B3LYP		11.547	11.685	11.872	11.870		11.963	11.958	11.958	11.857		11.952	11.948	11.922	11.944	11.942	11.991	11.946	11.943
	B3PW91		11.581	11.706	11.878	11.866	11.866	11.930	11.916	11.916	11.849				11.921	11.899
	mPW1PW91	13.045	11.544	11.666	11.838	11.825	11.825	11.893	11.875	11.875	11.808				11.879	11.861		11.916	11.863
	M06-2X			11.510
	PBEPBE		11.435	11.563	11.743	11.740	11.740	11.833	11.831	11.831	11.722			11.821	11.796	11.815		11.862	11.820
	TPSSh					11.794		11.859			11.775					11.844
	wB97X-D			11.744		11.859		11.922		11.893			11.906		11.922	11.887			11.888
	B97D3		11.343			11.656		11.744		11.767		11.768	11.766			11.753			11.754
		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	Def2TZVPP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ
Moller Plesset perturbation	MP2	8.495	10.668	11.170	11.009	11.361	11.361	11.420	11.299	11.299	11.501		11.394	11.629	11.379	11.613		11.501	11.662
	MP2=FULL	8.494	10.667	11.169	11.004	11.379	11.379	11.439	11.342	11.342	11.537				11.380	11.607		11.500	11.656
	MP3					11.358		11.357
	MP3=FULL					11.361		11.422
	MP4		10.696			11.321				11.237						11.472
	B2PLYP															11.776
Configuration interaction	CID					11.295
Configuration interaction	CISD					11.293
		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	Def2TZVPP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ
Quadratic configuration interaction	QCISD		10.698	11.116	11.047	11.331	11.331	11.392	11.256	11.256	11.506				11.325	11.590		11.462	11.636
Quadratic configuration interaction	QCISD(T)					11.333									11.327	11.625
Coupled Cluster	CCD		10.698	11.118	11.047	11.332	11.332	11.393	11.259	11.259	11.508				11.328	11.592		11.463	11.637
	CCSD					11.330									11.325	11.591
	CCSD(T)					11.333									11.326	11.625		11.479	11.680
		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	Def2TZVPP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ

		daug-cc-pVDZ	daug-cc-pVTZ	daug-cc-pVQZ	Sadlej_pVTZ	CEP-31G	CEP-31G*	CEP-121G	CEP-121G*	LANL2DZ	SDD
hartree fock	HF					10.749		10.749		10.802	10.827
density functional	B3LYP					11.889		11.889		11.908	11.980

	Computational Chemistry Comparison and Benchmark DataBase Release 19 (April 2018) Standard Reference Database 101 National Institute of Standards and Technology
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Calculated Ionization Energy for Br (Bromine atom)