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			11.984						12.102				12.020
density functional	BLYP			12.440
	B3LYP									13.059
	B3LYPultrafine												13.032
	M06-2X		13.359	13.232
	PBE1PBE			12.892
	HSEh1PBE	13.052		12.874	12.980							12.999
	TPSSh			12.705	12.809			12.667				12.827
	wB97X-D		13.204	13.004	13.100		13.141			13.143	13.345	13.089	13.099
	B97D3	12.762		12.591	12.721		12.739		12.755	12.784		12.727	12.752
		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			14.091		14.247				14.247
	MP3=FULL			13.222	13.317
	B2PLYP			13.027								13.248
		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									12.029
density functional	B3LYP									13.028
density functional	PBEPBE									12.835
Moller Plesset perturbation	MP2									14.474

	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 C2N2 (Cyanogen)

Calculated Ionization Energy for C₂N₂ (Cyanogen)