CCCBDB Ionization Energy page 2

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semi-empirical	PM3
composite	G4	9.214

		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			7.712						7.727				7.677
density functional	BLYP			9.002
	B3LYP									9.150
	B3LYPultrafine												9.133
	M06-2X		9.174	9.080
	PBE1PBE			9.055
	HSEh1PBE	9.277		9.048	9.098							9.042
	TPSSh			9.053	9.099			8.982				9.045
	wB97X-D		9.082	8.961	9.009		9.015			9.008	9.009	8.963	8.972
	B97D3	9.236		9.002	9.065		9.073		9.028	9.060		9.019	9.028
		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			8.825		8.923				8.835
	MP3=FULL			8.669	8.723
	MP4											9.108
	B2PLYP			8.968								9.072
		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									7.653
density functional	B3LYP									9.091
density functional	PBEPBE									9.147
Moller Plesset perturbation	MP2									9.049

	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 BeS (beryllium sulfide)