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			9.667						9.856				9.824	9.821
density functional	BLYP			10.601										10.851
	B1B95													10.802
	B3LYP									11.055				11.022
	B3LYPultrafine												11.041
	B3PW91													10.890
	mPW1PW91													10.830
	M06-2X		11.047	10.745
	PBEPBE													10.834
	PBE1PBE			10.662
	HSEh1PBE	10.985		10.659	10.896							10.841
	TPSSh			10.706	10.936			10.680				10.874
	wB97X-D		11.038	10.721	10.946		10.921			10.924	10.873	10.898	10.905
	B97D3	11.201		10.886	11.152		11.116		11.101	11.144		11.098	11.118
		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			10.355		10.572				10.618				10.713
	MP2=FULL													10.711
	MP3=FULL			10.609	10.861
	MP4											10.987
	B2PLYP			10.624								10.886
		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													11.005
Coupled Cluster	CCSD(T)													11.044
		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									9.822
density functional	B3LYP									11.029
density functional	PBEPBE									10.843
Moller Plesset perturbation	MP2									10.709

	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 BF (Boron monofluoride)