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									8.842				8.762
density functional	BLYP			9.623
	B3LYP							9.822		10.185			10.163
	M06-2X		10.242	9.916					10.171
	PBE1PBE			9.815
	HSEh1PBE	10.079		9.805	10.055							10.004
	TPSSh			9.722	9.978			9.686				9.929
	wB97X-D		10.124	9.840	10.083		10.038			10.092	9.959	10.009	10.050
	B97D3	9.930		9.711	10.000		9.936		10.006	10.023		9.943	10.000	9.998
		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			9.783		9.956				10.132
	MP3				9.795
	MP3=FULL			9.740	10.036
	B2PLYP			9.769								10.076
	B2PLYP=FULLultrafine			9.771							9.894	10.083
		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									8.759
density functional	B3LYP									10.139
density functional	PBEPBE									10.069
Moller Plesset perturbation	MP2									10.270

	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 CH2CHF (Ethene, fluoro-)

Calculated Ionization Energy for CH₂CHF (Ethene, fluoro-)