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			8.128						8.220				8.210
density functional	BLYP			9.219
	B3LYP									9.642
	B3LYPultrafine												9.640
	M06-2X		9.609	9.470					9.663
	PBE1PBE			9.386
	HSEh1PBE	9.512		9.374	9.535							9.511
	TPSSh			9.296	9.457			9.259				9.434
	wB97X-D		9.560	9.420	9.572		9.541			9.558	9.679	9.522	9.545
	B97D3	9.436		9.314	9.504		9.461		9.508	9.515		9.469	9.504	9.503
		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			9.119		9.242				9.348
	MP2=FULL												9.668
	MP3=FULL			9.059	9.260
	B2PLYP			9.221								9.486
	B2PLYP=FULLultrafine			9.224							9.287	9.492	9.543
Coupled Cluster	CCSD(T)=FULL			9.007
		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									8.203
density functional	B3LYP									9.624
density functional	PBEPBE									9.573
Moller Plesset perturbation	MP2									9.586

	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 CH2CO (Ketene)

Calculated Ionization Energy for CH₂CO (Ketene)