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			10.000						10.167				10.125
density functional	BLYP			10.740
	B3LYP									11.326
	B3LYPultrafine												11.313
	M06-2X		11.584	11.392
	PBE1PBE			11.126
	HSEh1PBE	11.336		11.107	11.242							11.275
	TPSSh			10.968	11.101			10.956				11.135
	wB97X-D		11.452	11.201	11.330		11.381			11.380	11.330	11.342	11.352
	B97D3	11.091		10.873	11.033		11.059		11.082	11.096		11.054	11.076
		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			12.423		12.598				12.583
	MP3=FULL			11.688	11.835
	B2PLYP			11.199								11.473
		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									10.130
density functional	B3LYP									11.306
density functional	PBEPBE									11.173
Moller Plesset perturbation	MP2									12.791

	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 HCCCN (Cyanoacetylene)