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			9.508						12.391				12.230	12.241
hartree fock	ROHF			12.263
density functional	BLYP			12.003										12.127
	B1B95													12.131
	B3LYP									12.567				12.433
	B3LYPultrafine												12.494
	B3PW91													12.411
	mPW1PW91													12.387
	M06-2X		13.068	12.375
	PBEPBE													12.145
	PBE1PBE			12.343
	HSEh1PBE	10.638		12.270	12.483							12.285
	TPSSh			12.269	12.486			12.126				12.303
	wB97X-D		12.954	12.349	12.538		12.402			12.418	12.538	12.291	12.323
	B97D3	12.676		12.198	12.446		12.295		12.308	12.387		12.258	12.324
		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			12.013		11.991				12.099				12.117
	MP3=FULL			12.250	12.450
	MP4											11.874
	B2PLYP			12.155								12.222
		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													12.139
Coupled Cluster	CCSD(T)													12.090
		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									12.238
density functional	B3LYP									12.464
density functional	PBEPBE									12.182
Moller Plesset perturbation	MP2									12.146

	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 NF (nitrogen fluoride)