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			6.754										5.235	5.576
density functional	LSDA													8.732
	BLYP			7.157
	B3LYPultrafine												10.597
	mPW1PW91													7.159
	M06-2X		6.805	6.931
	PBEPBE													7.466
	PBE1PBE			7.215
	HSEh1PBE	6.278		7.195	7.239							7.464
	TPSSh			7.165	7.172			7.365				7.399
	wB97X-D		6.962	7.189	7.513		7.246			7.242	7.513	7.404	7.477
	B97D3	6.434		6.915	7.285		7.334		7.342	7.335		7.481	7.290
		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			6.755		6.771								6.964
	MP3=FULL			6.634	7.017
	MP4											7.416
	B2PLYP			6.793								7.488
		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													7.028
Coupled Cluster	CCSD(T)													7.106
		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
density functional	B3LYP									7.788
density functional	PBEPBE									7.825
Moller Plesset perturbation	MP2									7.262

	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 NaO (sodium monoxide)