CCCBDB Ionization Energy page 2

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semi-empirical	PM3
composite	G4	11.452

		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			10.212						10.359				10.238
density functional	BLYP			10.778
	B3LYP									11.418
	B3LYPultrafine												11.368
	M06-2X		11.618	11.172					11.378
	PBE1PBE			10.913
	HSEh1PBE	11.300		10.912	11.290							11.070
	TPSSh			10.911	11.295			10.781				11.077
	wB97X-D		11.470	11.067	11.421		11.244			11.287	11.409	11.171	11.228
	B97D3	11.244		10.868	11.294		11.083		11.137	11.189		11.064	11.152	11.144
		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			10.790		10.866				11.045
	MP2=FULL												11.210
	MP3=FULL			10.980	11.337
	MP4											11.205
	B2PLYP			10.923								11.159
	B2PLYP=FULLultrafine			10.920							10.997	11.152
		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									10.224
density functional	B3LYP									11.324
density functional	PBEPBE									11.070
Moller Plesset perturbation	MP2									11.124

	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 CF2 (Difluoromethylene)

Calculated Ionization Energy for CF₂ (Difluoromethylene)