CCCBDB Ionization Energy page 2

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composite	G2	9.709
	G3	9.819
	G3B3	9.813
	G4	9.760
	CBS-Q	9.779

		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	daug-cc-pVTZ
hartree fock	HF	8.077	10.518	10.518	10.529	9.820	9.812	9.897	9.792	9.801	9.686		9.847	9.724	9.727	9.732	9.836	9.763	9.744	9.757
hartree fock	ROHF		10.489	10.489	10.462	9.733	9.723	9.802	9.700	9.710			9.751	9.639	9.629	9.629	9.740	9.660	9.640
density functional	LSDA	8.314	10.193	10.193	10.459	10.056	10.061	10.279	10.104	10.128	9.982		10.203	9.955	10.138		10.246	10.213
	BLYP	7.966	9.708	9.708	9.958	9.531	9.534	9.795	9.583	9.603	9.453		9.729	9.426	9.629		9.766	9.732
	B1B95	8.390	10.083	10.083	10.219	9.711	9.711	9.871	9.713	9.733	9.625		9.799	9.619	9.720		9.831	9.782
	B3LYP	8.462	10.152	10.152	10.347	9.869	9.869	10.074	9.897	9.914	9.779		10.009	9.768	9.914	9.948	10.037	9.991	9.979
	B3LYPultrafine		10.152			9.870	9.870	10.074	9.897				10.009	9.769	9.914		10.038	9.992
	B3PW91	8.498	10.254	10.254	10.380	9.894	9.893	10.047	9.903	9.921	9.805		9.976	9.805	9.902		10.009	9.959
	mPW1PW91	8.549	10.294	10.294	10.405	9.903	9.901	10.056	9.905	9.922	9.812		9.985	9.816	9.903		10.020	9.965
	M06-2X	8.511	10.300	10.300	10.396	9.841	9.841	9.997	9.897	9.915	9.761		9.963	9.745	9.925		9.957	9.977
	PBEPBE	8.000	9.832	9.832	10.020	9.583	9.585	9.806	9.613	9.634	9.513		9.741	9.493	9.658		9.780	9.751
	PBEPBEultrafine		9.833			9.583	9.586	9.806	9.614				9.742	9.493	9.658		9.781	9.751
	PBE1PBE	8.443	10.217	10.217	10.339	9.835	9.835	9.992	9.837	9.855	9.749		9.929	9.748	9.847		9.957	9.912
	HSEh1PBE	8.443	10.212	10.212	10.339	9.837	9.836	9.995	9.842	9.859	9.748		9.935	9.747	9.851		9.959	9.915
	TPSSh	8.324	10.170	10.170	10.273	9.789	9.784	9.945	9.806	9.818	9.693		9.889	9.697	9.806	9.832	9.908	9.871	9.863
	wB97X-D	8.514	10.223	10.223	10.351	9.871	9.870	10.017	9.863	9.879	9.769		9.910	9.772	9.825	9.846	9.964	9.874	9.870
	B97D3											9.853
		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	daug-cc-pVTZ
Moller Plesset perturbation	MP2	7.961	9.707	9.707	9.937	9.495	9.533	9.715	9.432	9.510	9.524		9.605	9.402	9.667	9.738	9.751	9.781	9.786
	MP2=FULL	7.958	9.704	9.704	9.934	9.488	9.527	9.708	9.428	9.506	9.513		9.605	9.398	9.642	9.735	9.744	9.738	9.782
	ROMP2	7.137	9.433	9.433	9.707	9.404	9.446	9.622	9.362	9.436	9.465		9.524	9.326	9.609		9.660
	MP3					9.664		9.855					9.753	9.570	9.831
	MP3=FULL		9.940	9.940	10.131	9.658	9.694	9.849	9.602	9.674	9.694		9.754	9.566	9.806		9.881	9.885
	MP4		9.659			9.433				9.445			9.545	9.344	9.632		9.732	9.758
	MP4=FULL		9.657			9.426				9.441				9.340	9.605		9.726	9.714
	B2PLYP	8.062	9.861	9.861	10.073	9.642	9.654	9.847	9.640	9.675	9.600		9.772	9.548	9.731		9.841	9.824
	B2PLYP=FULL	8.061	9.860	9.860	10.072	9.640	9.652	9.846	9.639	9.674	9.597		9.772	9.547	9.726		9.839	9.813
	B2PLYP=FULLultrafine	8.061	9.860	9.860	10.072		9.652	9.846	9.639	9.674	9.598		9.772				9.840
Configuration interaction	CID		9.963	9.963	10.136	9.656			9.607
Configuration interaction	CISD		9.854	9.854	10.030	9.599			9.553
		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	daug-cc-pVTZ
Quadratic configuration interaction	QCISD		9.572	9.572	9.820	9.491	9.528	9.703	9.456	9.525	9.574		9.611	9.410	9.708		9.758	9.819
	QCISD(T)					9.407			9.362				9.531	9.324	9.636		9.701	9.765
	QCISD(T)=FULL					9.402		9.627						9.322	9.615	9.723	9.697	9.725	9.771
	QCISD(TQ)					9.430		9.652						9.346	9.662	9.746	9.715	9.785
	QCISD(TQ)=FULL					9.426		9.647						9.344	9.640	9.746	9.711	9.746
Coupled Cluster	CCD		9.894	9.894	10.094	9.627	9.661	9.822	9.577	9.645	9.671		9.725	9.535	9.799		9.857	9.898
	CCSD					9.531					9.605		9.644	9.446	9.737	9.809	9.784	9.844	9.851
	CCSD=FULL					9.526					9.597		9.647	9.443	9.715	9.810	9.780	9.805	9.850
	CCSD(T)					9.427	9.467		9.380				9.550	9.342	9.652	9.736	9.717	9.777	9.787
	CCSD(T)=FULL					9.422							9.551	9.339	9.630	9.737	9.712	9.737	9.785
		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	daug-cc-pVTZ

		CEP-31G	CEP-31G*	CEP-121G	CEP-121G*	LANL2DZ	SDD	cc-pVTZ-PP	aug-cc-pVTZ-PP	Def2TZVPP
hartree fock	HF	10.680	9.977	10.647	9.918	10.618	10.617			9.744
density functional	B3LYP	10.657	10.123	10.607	10.090	10.514	10.499			9.955
	PBEPBE									9.703
	wB97X-D	10.520	9.986	10.476	9.946	10.446	10.434
Moller Plesset perturbation	MP2	10.359	9.728	10.282	9.688	10.182	10.177			9.706

	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 NOH (Hydroxyimidogen)