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									11.718				11.580
density functional	BLYP			11.349
	B3LYP									12.419
	B3LYPultrafine												12.421
	M06-2X		12.416	12.386
	PBE1PBE			12.076
	HSEh1PBE	12.176		12.056	12.239							12.247
	TPSSh			11.961	12.119			11.978				12.123
	wB97X-D		12.497	11.516	11.687		11.690			11.716	11.687	11.640	11.643
	B97D3	11.558		11.404	11.604		11.586		11.596	11.656		11.597	11.611
		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			10.816		11.073				11.074
	MP2=FULL												11.327
	MP4											17.623
	B2PLYP			11.575								11.938
		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									11.573
density functional	B3LYP									11.842
density functional	PBEPBE									11.432
Moller Plesset perturbation	MP2									11.269

	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 C3 (carbon trimer)

Calculated Ionization Energy for C₃ (carbon trimer)