CCCBDB Ionization Energy page 2

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semi-empirical	PM3
composite	G3B3	9.207
composite	G4	9.206

		3-21G	3-21G*	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-pVTZ	daug-cc-pVTZ
hartree fock	HF			8.078						8.057				8.062
density functional	BLYP			9.020
	B3LYP									9.237
	B3LYPultrafine												9.276
	M06-2X		8.974	9.184					9.197
	PBE1PBE			9.163
	HSEh1PBE	8.909		9.159	9.214							9.200
	TPSSh			9.168	9.217			9.145				9.201
	wB97X-D		8.938	9.075	9.127		9.127			9.059	75.595	9.089	9.091
	B97D3	8.757		9.030	9.100		9.124		9.094	9.057		9.087	9.094	9.092
		3-21G	3-21G*	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-pVTZ	daug-cc-pVTZ
Moller Plesset perturbation	MP2			8.869		8.885				8.842
	MP3=FULL			8.827	8.890
	B2PLYP			9.040								9.161
		3-21G	3-21G*	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-pVTZ	daug-cc-pVTZ

		CEP-31G	CEP-31G*	CEP-121G	CEP-121G*	LANL2DZ	SDD	cc-pVTZ-PP	aug-cc-pVTZ-PP	Def2TZVPP
hartree fock	HF									8.062
density functional	B3LYP									9.267
density functional	PBEPBE									9.209
Moller Plesset perturbation	MP2									9.094

	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 Ionization Energy for LiBr (Lithium Bromide)