CCCBDB Ionization Energy page 2

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semi-empirical	PM3
composite	G4	9.536

		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			8.335						8.383				9.988
hartree fock	ROHF			9.811
density functional	BLYP			8.716
	B3LYP									9.617
	B3LYPultrafine												9.608
	M06-2X		9.838	9.370
	PBE1PBE			9.469
	HSEh1PBE	8.009			9.503							9.415
	TPSSh			9.420	9.510			9.386				9.424
	wB97X-D		9.822	9.511	9.608		9.507			9.542	9.608	9.509	9.533
	B97D3	8.732		8.873	8.978		8.922		8.983	8.940		8.934	8.959
		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			9.068		9.273				9.153
	MP3=FULL			9.243	9.375
	MP4											9.480
	B2PLYP			9.474								9.531
		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									9.999
density functional	B3LYP									9.588
density functional	PBEPBE									8.920
Moller Plesset perturbation	MP2									9.351

	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 AlN (Aluminum nitride)