CCCBDB Ionization Energy page 2

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		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	cc-pV(T+d)Z	daug-cc-pVTZ
hartree fock	HF			4.836						4.859				4.874	4.944
density functional	LSDA													8.857
	BLYP			7.846
	B1B95													7.361
	B3LYP									7.497				7.672
	B3LYPultrafine												7.749
	mPW1PW91													7.348
	M06-2X		7.131	7.274
	PBEPBE													7.934
	PBE1PBE			7.313
	HSEh1PBE	7.157		7.322	7.469							7.383
	TPSSh			7.399	7.530			7.444				7.447
	wB97X-D		6.964	7.135	7.285		7.180			7.035	7.285	7.175	7.250
	B97D3	7.598		7.720	7.847		7.776		7.846	7.523		7.765	7.826
		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	cc-pV(T+d)Z	daug-cc-pVTZ
Moller Plesset perturbation	MP2			7.869		7.884				7.518				8.067
	MP2=FULL													8.140
	MP3=FULL			6.793	6.932
	MP4											8.472
	B2PLYP			7.771								7.866
		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	cc-pV(T+d)Z	daug-cc-pVTZ
Quadratic configuration interaction	QCISD													7.516
Coupled Cluster	CCD													7.134
Coupled Cluster	CCSD(T)													7.695
		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	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									4.968
density functional	B3LYP									7.768
density functional	PBEPBE									8.029
Moller Plesset perturbation	MP2									8.143

	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 MgO (magnesium oxide)