CCCBDB Ionization Energy page 2

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semi-empirical	PM3
composite	G4	7.653

		STO-3G	3-21G	3-21G*	6-31G	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					7.509						7.520				7.481
density functional	LSDA	5.665			8.318	8.120		8.197
	BLYP					7.549
	B3LYP											7.864
	B3LYPultrafine														7.865
	M06-2X			7.617
	PBE1PBE					7.807
	TPSSh					7.789	7.858			7.729				7.826
	wB97X-D			7.753		7.762	7.829		7.791			7.808	7.829	7.771	7.788
	B97D3		7.937			7.682	7.771		7.744		7.730	7.756		7.730	7.755
		STO-3G	3-21G	3-21G*	6-31G	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					6.538		6.667				6.711
	MP3=FULL					6.860	6.978
	B2PLYP													7.589
		STO-3G	3-21G	3-21G*	6-31G	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									7.432
density functional	B3LYP									7.823
density functional	PBEPBE									7.742
Moller Plesset perturbation	MP2									6.969

	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 HCS (Thioformyl radical)