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			11.122						11.312				11.278
density functional	BLYP			10.483
	B3LYP									11.110
	B3LYPultrafine												11.101
	M06-2X		11.231	11.079
	PBE1PBE			10.959
	HSEh1PBE	10.008		10.944								9.895
	TPSSh			10.852	10.991			10.846				10.996
	wB97X-D		11.318	11.090	11.233		11.240			11.264	11.233	11.234	11.243
	B97D3	10.626		10.385	10.537		10.532		10.548	10.563		10.550	10.559
		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			10.390		10.610				10.616
	MP2=FULL												10.769
	MP3=FULL			10.370	10.547
	MP4											10.443
	B2PLYP			9.825
		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									11.290
density functional	B3LYP									11.100
density functional	PBEPBE									10.758
Moller Plesset perturbation	MP2									10.742

	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 BC (boron monocarbide)