CCCBDB Ionization Energy page 2

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		TZVP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	daug-cc-pVTZ
hartree fock	HF	9.893	9.910	9.866	9.868	9.931	9.874	9.870	9.871
density functional	LSDA		11.868	11.932		11.952
	BLYP		10.877	10.960
	B1B95		11.105	11.116
	B3LYP	11.200	11.107	11.159	11.170	11.202	11.178	11.176
	B3LYPultrafine						11.178
	B3PW91		11.191	11.190
	mPW1PW91		11.157	11.154
	PBEPBE		11.083	11.121
	TPSSh			11.106
	wB97X-D	11.169	11.959	11.133			11.144
	B97D3	11.087		11.036			11.057
		TZVP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	daug-cc-pVTZ
Moller Plesset perturbation	MP2	11.042	11.029	11.324		11.249	11.405
	MP2=FULL		11.037	11.335			11.408
	B2PLYP			11.104
		TZVP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	daug-cc-pVTZ
Quadratic configuration interaction	QCISD		10.584	10.875
Quadratic configuration interaction	QCISD(T)		10.666	10.991		10.888	11.074
Coupled Cluster	CCD		10.678	10.968		10.880	11.038
Coupled Cluster	CCSD(T)		10.671	10.999		10.895	11.082
		TZVP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	daug-cc-pVTZ

		CEP-31G	CEP-31G*	CEP-121G	CEP-121G*	LANL2DZ	SDD	cc-pVTZ-PP	aug-cc-pVTZ-PP	Def2TZVPP
hartree fock	HF	9.962	9.893	9.929	9.885	10.053	10.028			9.877
density functional	B3LYP	11.251	11.134	11.185	11.100	11.296	11.311			11.172
density functional	PBEPBE									11.133
Moller Plesset perturbation	MP2	10.903	11.038	10.886	11.045	10.999	11.020			11.353

	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 OCS (Carbonyl sulfide)