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	daug-cc-pVTZ
hartree fock	HF									5.005				5.174
density functional	BLYP			7.103
	B3LYP									7.133
	B3LYPultrafine												7.276
	M06-2X		6.512						6.934
	PBE1PBE			6.764
	TPSSh			6.854	6.998			6.927				7.023
	wB97X-D		6.322	6.604	6.766		6.681			6.658	6.729	6.757	6.808
	B97D3	6.622		6.799	6.932		6.870		6.998	6.830		6.921	6.978	6.979
		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			5.969		6.069				6.027
	MP2=FULL												6.590
	MP3=FULL			5.985	6.192
	B2PLYP											6.891
Coupled Cluster	CCSD(T)=FULL			-18.203
		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									5.125
density functional	B3LYP									7.219
density functional	PBEPBE									7.202
Moller Plesset perturbation	MP2									6.387

	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 LiN (Lithium Nitride)