CCCBDB Ionization Energy page 2

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composite	G2	7.648
	G3	7.789
	G3B3	7.795
	G4	7.782
	CBS-Q	7.790

		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	4.563	7.131	7.279	7.322	7.325	7.314	7.328	7.287	7.278	7.316		7.280	7.286	7.293	7.295	7.291	7.295	7.295	7.295
density functional	LSDA	6.149		8.293	8.289	8.318	8.318	8.341	8.323	8.324	8.305			8.313	8.327			8.327
	BLYP	5.484	7.400	7.587	7.578	7.611	7.608	7.645	7.637	7.636	7.597		7.615	7.608	7.634		7.645	7.639
	B1B95	5.390		7.613	7.648	7.656	7.656	7.674	7.644	7.641	7.642		7.630	7.637	7.636		7.652	7.639
	B3LYP	5.494	7.603	7.777	7.787	7.806	7.802	7.829	7.813	7.811	7.793		7.799	7.797	7.812	7.808	7.821	7.814	7.809
	B3LYPultrafine		7.604			7.807	7.803	7.830	7.813				7.800	7.799	7.810		7.823	7.812
	B3PW91	5.574	7.676	7.846	7.854	7.874	7.871	7.888	7.858	7.856	7.854		7.850	7.853	7.858		7.862	7.860
	mPW1PW91	5.532	7.667	7.837	7.846	7.868	7.865	7.883	7.854	7.851	7.847		7.839	7.843	7.852		7.854	7.855
	M06-2X	5.432	7.604	7.710	7.784	7.763	7.755	7.771	7.724	7.714	7.749	7.727	7.701	7.729	7.705		7.734	7.708
	PBEPBE	5.697	7.571	7.753	7.741	7.778	7.776	7.805	7.783	7.782	7.758		7.764	7.764	7.778		7.789	7.783
	PBEPBEultrafine		7.574			7.781	7.778	7.806	7.785				7.766	7.767	7.777		7.792	7.781
	PBE1PBE	5.492		7.806	7.816	7.837	7.837	7.853	7.824	7.821	7.818		7.811	7.815	7.821		7.827	7.823
	HSEh1PBE	5.487	7.639	7.808	7.813	7.833	7.830	7.849	7.821	7.818	7.814		7.808	7.813	7.820		7.825	7.822
	TPSSh	5.627	7.643	7.813	7.797	7.828	7.825	7.841	7.807	7.804	7.798		7.789	7.797	7.809	7.806	7.805	7.813	7.807
	wB97X-D	5.418	7.539	7.688	7.709	7.706	7.703	7.720	7.680	7.679	7.688		7.674	7.676	7.677	7.677	7.687	7.678	7.678
	B97D3											7.716
		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	4.347	7.049	7.473	7.247	7.488	7.491	7.507	7.464	7.475	7.558		7.541	7.505	7.652	7.684	7.545	7.671	7.694
	MP2=FULL	4.345	7.046	7.471	7.229	7.509	7.513	7.529	7.524	7.535	7.598		7.528	7.504	7.644	7.663	7.543	7.662	7.673
	MP3					7.508		7.128					7.533	7.514	7.671
	MP3=FULL		7.000	7.478	7.179	7.518	7.522	7.538	7.502	7.514	7.619		7.509	7.511	7.655		7.559	7.673
	MP4		6.979			7.512				7.505			7.555	7.520	7.704		7.576	7.726
	MP4=FULL		6.977			7.527				7.555				7.519	7.697		7.573	7.717
	B2PLYP	4.996	7.358	7.620	7.550	7.644	7.642	7.664	7.636	7.638	7.660		7.656	7.644	7.703		7.673	7.711
	B2PLYP=FULL	4.996	7.357	7.620	7.544	7.654	7.652	7.674	7.660	7.662	7.678		7.652	7.644	7.701		7.672	7.709
	B2PLYP=FULLultrafine	4.997	7.357	7.620	7.544		7.652	7.674	7.660	7.661	7.677		7.652				7.673
Configuration interaction	CID		6.977	7.451	7.174	7.480			7.457
Configuration interaction	CISD		6.974	7.464	7.171	7.494			7.470
		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		6.965	7.479	7.162	7.504	7.505	7.521	7.481	7.488	7.589		7.534	7.503	7.670		7.554	7.689
	QCISD(T)					7.517			7.496				7.548	7.518	7.702		7.576	7.724
	QCISD(T)=FULL					7.529		7.547							7.690	7.720	7.573	7.711	7.728
	QCISD(TQ)					7.519		7.538						7.519	7.702	7.739	7.578	7.725	7.748
	QCISD(TQ)=FULL					7.530		7.548						7.516		7.718	7.574	7.710
Coupled Cluster	CCD		6.968	7.462	7.165	7.488	7.491	7.507	7.465	7.475	7.571		7.516	7.489	7.647		7.537	7.665
	CCSD					7.502					7.587		7.531	7.501	7.667	7.701	7.552	7.686	7.708
	CCSD=FULL					7.514					7.619		7.515	7.499	7.655	7.681	7.548	7.673	7.687
	CCSD(T)					7.516	7.517		7.495				7.547	7.517	7.700	7.739	7.575	7.722
	CCSD(T)=FULL					7.528							7.528		7.688		7.571	7.709
		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	7.351		7.355		7.405	7.314			7.292
density functional	B3LYP	7.876		7.882		7.911	7.856			7.802
	PBEPBE									7.768
	wB97X-D	7.803		7.805		7.875	7.799
Moller Plesset perturbation	MP2	7.252		7.259		7.279	7.201			7.659

	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 GeH (germylidene)