CCCBDB Ionization Energy page 2

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semi-empirical	PM3
composite	G2	7.246
	G3	7.314
	G3B3	7.318
	G4	7.327
	CBS-Q	7.249

		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	4.810	7.869	7.168	7.849	7.167	7.167	7.178	7.182	7.182	7.023		7.128	7.147	7.043	7.026	7.156	7.051	7.029		7.049
density functional	LSDA	5.323			8.270	7.842			7.894
	BLYP	4.751	7.676	7.237	7.659	7.249	7.249	7.305	7.312	7.312	7.152			7.217	7.194
	B1B95	5.255		7.373	7.850	7.346	7.346	7.370	7.365	7.365	7.232			7.319	7.248		7.342	7.259
	B3LYP	5.108	7.995	7.484	7.976	7.490	7.490	7.530	7.537	7.537	7.376		7.482	7.460	7.411	7.398	7.506	7.424	7.403
	B3LYPultrafine					7.489
	B3PW91	5.219	8.104	7.591	8.059	7.572	7.572	7.591	7.602	7.602	7.456			7.554	7.481
	mPW1PW91	5.238	8.121	7.594	8.082	7.580	7.580	7.600	7.607	7.607	7.460			7.559	7.484
	M06-2X			7.390		7.402						7.294
	PBEPBE	4.921	7.880	7.438	7.849	7.437	7.437	7.474	7.481	7.481	7.339			7.412	7.369
	PBE1PBE					7.554
	HSEh1PBE		8.081			7.545		7.567							7.452
	TPSSh					7.564		7.584			7.455				7.476
	wB97X-D			7.524		7.502		7.521		7.529			7.472	8.559	7.389			7.392
	B97D3		7.857			7.393		7.427		7.443		7.321	7.389		7.321			7.336
		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	4.212	7.451	6.996	7.440	7.006	7.006	7.030	7.041	7.041	7.129		7.046	7.087	7.169	7.200	7.213	7.211
	MP2=FULL	4.191	7.447	6.983	7.435	6.993	6.993	7.016	7.032	7.032	7.105			7.078	7.148	7.174			7.188	7.116
	MP3					7.042
	MP3=FULL					7.030		7.053
	MP4					6.968
	B2PLYP					7.264									7.271
Configuration interaction	CID		7.519	7.059	7.507	7.066			7.100
Configuration interaction	CISD		7.476	7.051	7.461	7.056			7.092
		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		7.395	7.019	7.380	7.025	7.025	7.051	7.066	7.066	7.221			7.142	7.266
Quadratic configuration interaction	QCISD(T)					6.984								7.104	7.255		7.258	7.306
Coupled Cluster	CCD		7.481	7.036	7.471	7.047	7.047	7.071	7.084	7.084	7.209			7.151	7.252		7.278	7.290
	CCSD					7.039
	CCSD(T)													7.111	7.258		7.265	7.308
	CCSD(T)=FULL					6.981
		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	8.016	7.236	7.869	7.136	8.123	7.794			7.010
density functional	B3LYP	8.125	7.561	7.973	7.444	8.235	7.933			7.379
density functional	PBEPBE									7.341
Moller Plesset perturbation	MP2	7.557	7.156	7.452	7.070	7.633	7.368			7.140

	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 SiCl (Clorosilylidyne)