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			10.292						10.500				10.490
density functional	B3LYP									11.255
	B3LYPultrafine												11.246
	M06-2X		11.175	11.118					11.379
	PBE1PBE			11.093
	HSEh1PBE	11.220		11.083	11.262							11.297
	TPSSh			10.991	11.158			11.022				11.194
	wB97X-D		11.188	11.041	11.219		11.245			11.278	11.341	11.240	11.256
	B97D3	11.024										10.986
		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			10.519		10.812
	MP2=FULL												11.105
	MP3=FULL			10.482	10.697
	MP4											10.843
	B2PLYP			10.873								11.475
		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									10.498
density functional	B3LYP									11.243
density functional	PBEPBE									11.500
Moller Plesset perturbation	MP2									11.040

	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 C4 (Carbon tetramer)

Calculated Ionization Energy for C₄ (Carbon tetramer)