CCCBDB Ionization Energy page 2

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		3-21G	3-21G*	6-31G*	6-31+G**	6-311G*	6-311G**	6-311+G(3df,2p)	TZVP	cc-pVDZ	cc-pVTZ	aug-cc-pVTZ	daug-cc-pVTZ
hartree fock	HF			12.565					12.572				12.438
density functional	BLYP			11.943
	B3LYP								12.664
	B3LYPultrafine											12.622
	M06-2X		13.088	12.832
	PBE1PBE			12.408
	HSEh1PBE	12.593		12.406	12.603						12.389
	TPSSh			12.217	12.414						12.250
	wB97X-D		12.774	12.587	12.758		12.632		12.620	12.758	12.481	12.557
	B97D3	12.126		12.045	12.285		12.134	12.197	12.209		12.063	12.176
		3-21G	3-21G*	6-31G*	6-31+G**	6-311G*	6-311G**	6-311+G(3df,2p)	TZVP	cc-pVDZ	cc-pVTZ	aug-cc-pVTZ	daug-cc-pVTZ
Moller Plesset perturbation	MP2			11.588		11.534			11.673
	MP3=FULL			12.689	12.844
	B2PLYP			11.965							12.070
		3-21G	3-21G*	6-31G*	6-31+G**	6-311G*	6-311G**	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									12.428
density functional	B3LYP									12.578
density functional	PBEPBE									12.107
Moller Plesset perturbation	MP2									11.880

	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 O3 (Ozone)

Calculated Ionization Energy for O₃ (Ozone)