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			8.345						8.432				8.284
density functional	BLYP			8.930
	B3LYP									9.236
	B3LYPultrafine												9.161
	M06-2X		9.298	9.262
	PBE1PBE			9.013
	HSEh1PBE	10.006		9.002	9.090							8.994
	TPSSh			9.030	9.108			8.951				9.009
	wB97X-D		9.236	9.151	9.228		9.222			9.230	9.228	9.124	9.145
	B97D3	10.035		8.985	9.091		9.086		8.962	9.090		8.984	9.017
		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			8.637		8.740				8.820
	MP3=FULL			8.769	8.867
	B2PLYP			8.896								9.028
		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									8.219
density functional	B3LYP									9.071
density functional	PBEPBE									8.914
Moller Plesset perturbation	MP2									8.969

	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 CCl2 (dichloromethylene)

Calculated Ionization Energy for CCl₂ (dichloromethylene)