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			12.632						12.725				12.694	12.713
density functional	BLYP			11.715										11.874
	B1B95													12.179
	B3LYP									12.418				12.390
	B3LYPultrafine												12.416
	B3PW91													12.437
	mPW1PW91													12.480
	M06-2X		12.470	12.460
	PBEPBE													12.093
	PBE1PBE			12.331
	HSEh1PBE	12.318		12.318								12.419
	TPSSh			12.215	12.339			12.189				12.312
	wB97X-D		12.063	12.340	12.463		12.406			12.445	12.463	12.416	12.439
	B97D3	11.785		11.770	11.907		11.858		11.894	11.890		11.867	11.896
		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			11.898		12.036				12.080				12.139
	MP2=FULL													12.153
	MP3=FULL			12.140	12.279
	MP4											11.891
	B2PLYP			11.914								12.079
		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													11.808
Quadratic configuration interaction	QCISD(T)													4.703
Coupled Cluster	CCD													12.343
Coupled Cluster	CCSD(T)													11.770
		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									12.710
density functional	B3LYP									12.409
density functional	PBEPBE									12.111
Moller Plesset perturbation	MP2									12.166

	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 BN (boron nitride)