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-pVTZ	aug-cc-pVTZ	daug-cc-pVTZ
hartree fock	HF									9.494			9.450
density functional	BLYP			9.356
	B3LYP									9.970
	M06-2X		9.999	9.998					10.091
	PBE1PBE			9.854
	HSEh1PBE	9.786		9.845	10.039						9.870
	TPSSh							9.524
	wB97X-D		9.850	9.939			9.919			9.990		9.957
	B97D3	9.421		9.508	9.732		9.532		9.633	9.638	9.560	9.629	9.627
		3-21G	3-21G*	6-31G*	6-31+G**	6-311G*	6-311G**	6-31G(2df,p)	6-311+G(3df,2p)	TZVP	cc-pVTZ	aug-cc-pVTZ	daug-cc-pVTZ
Moller Plesset perturbation	MP2			9.931		9.749				9.911
Moller Plesset perturbation	B2PLYP			9.694							9.819
		3-21G	3-21G*	6-31G*	6-31+G**	6-311G*	6-311G**	6-31G(2df,p)	6-311+G(3df,2p)	TZVP	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									9.433
density functional	B3LYP									9.929
density functional	PBEPBE									9.631
Moller Plesset perturbation	MP2									10.080

	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 C2H2O2 (Ethanedial)

Calculated Ionization Energy for C₂H₂O₂ (Ethanedial)