CCCBDB Ionization Energy page 2

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semi-empirical	PM3
composite	G2	10.570
	G3	10.649
	G3B3	10.644
	G4	10.633
	CBS-Q	10.591

		STO-3G	3-21G	3-21G*	6-31G	6-31G*	6-31G**	6-31+G**	6-311G*	6-311G**	6-31G(2df,p)	6-311+G(3df,2p)	TZVP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	cc-pV(T+d)Z	daug-cc-pVTZ
hartree fock	HF	8.535	10.153	10.153	10.068	10.061	10.058	10.146	10.139	10.143	10.104			10.123	10.175	10.186	10.180	10.188	10.191	10.175	10.187
density functional	LSDA	9.572			11.308	11.287			11.428											11.474
	BLYP	9.145	10.728	10.728	10.687	10.664	10.669	10.846	10.802	10.808	10.707			10.764	10.857					10.857
	B1B95	9.157	10.693	10.693	10.626	10.600	10.558	10.732	10.697	10.703	10.636			10.680	10.737		10.761	10.758		10.737
	B3LYP	9.332	10.905	10.905	10.851	10.827	10.830	10.978	10.945	10.951	10.866		10.990	10.916	10.992	11.009	11.013	11.016	11.020	10.992
	B3LYPultrafine					10.827												11.016
	B3PW91	9.391	10.985	10.985	10.897	10.884	10.887	11.005	10.977	10.982	10.919			10.958	11.019					11.020
	mPW1PW91	9.380	10.963	10.963	10.876	10.865	10.868	10.989	10.957	10.961	10.900			10.941	11.003					10.989
	M06-2X			10.609		10.518						10.699
	PBEPBE	9.256	10.885	10.885	10.827	10.816	10.819	10.974	10.929	10.934	10.852			10.905	10.983					10.983
	HSEh1PBE					11.012
	TPSSh					10.796		10.911			10.823				10.927
	wB97X-D			10.829		10.695		10.819		10.790			10.823	10.811	10.822			10.839
	B97D3		10.783			10.684		10.827		10.788		10.855	10.837		10.836			10.863			10.863
		STO-3G	3-21G	3-21G*	6-31G	6-31G*	6-31G**	6-31+G**	6-311G*	6-311G**	6-31G(2df,p)	6-311+G(3df,2p)	TZVP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	cc-pV(T+d)Z	daug-cc-pVTZ
Moller Plesset perturbation	MP2	8.267	10.163	10.163	10.109	10.263	10.296	10.411	10.420	10.466	10.478		10.451	10.425	10.622	10.671	10.542	10.659	10.688	10.622
	MP2=FULL	8.263	10.161	10.161	10.106	10.268	10.301	10.417	10.425	10.471	10.485			10.426	10.636	10.689	10.544		10.706	10.636
	MP3					10.217
	MP3=FULL					10.223		10.374
	MP4		10.023			10.176
	B2PLYP														10.786
Configuration interaction	CID		9.981	9.981	9.924	10.114			10.275
Configuration interaction	CISD			9.974	9.917	10.116			10.279
		STO-3G	3-21G	3-21G*	6-31G	6-31G*	6-31G**	6-31+G**	6-311G*	6-311G**	6-31G(2df,p)	6-311+G(3df,2p)	TZVP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	cc-pV(T+d)Z	daug-cc-pVTZ
Quadratic configuration interaction	QCISD		9.962	15.406	9.906	10.112	10.142	10.254	10.280	10.320	10.357			10.285	10.496					10.496
Quadratic configuration interaction	QCISD(T)					10.120								10.296	10.526		10.437	10.567		10.526
Coupled Cluster	CCD		9.969	9.969	9.914	10.110	10.141	10.251	10.274	10.317	10.349			10.282	10.486		10.407	10.521		10.486
	CCSD(T)					10.118								10.295	10.525	10.578	10.436	10.565	10.593	10.525
	CCSD(T)=FULL					10.125										10.601			10.616
		STO-3G	3-21G	3-21G*	6-31G	6-31G*	6-31G**	6-31+G**	6-311G*	6-311G**	6-31G(2df,p)	6-311+G(3df,2p)	TZVP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	cc-pV(T+d)Z	daug-cc-pVTZ

		CEP-31G	CEP-31G*	CEP-121G	CEP-121G*	LANL2DZ	SDD	cc-pVTZ-PP	aug-cc-pVTZ-PP	Def2TZVPP
hartree fock	HF	10.223	10.201	10.145	10.120	10.185	10.176			10.187
density functional	B3LYP	10.990	10.957	10.922	10.891	11.009	10.981			11.010
density functional	PBEPBE									11.003
Moller Plesset perturbation	MP2	10.221	10.376	10.175	10.329	10.233	10.226			10.639

	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 CH (Methylidyne)