CCCBDB Ionization Energy page 2

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composite	G2	10.296
	G3	10.378
	G3B3	10.371
	G3MP2	10.380
	G4	10.348
	CBS-Q	10.320

		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	8.578	9.813	9.813	9.715	9.652	9.637	9.690	9.684	9.677	9.622		9.691	9.652	9.674	9.680	9.671	9.678	9.681	9.674	9.677
hartree fock	ROHF		9.722	9.722	9.750	9.579	9.565	9.748	9.611	9.751			9.761	9.583	9.606	9.763	9.746	9.760	9.764	9.606
density functional	LSDA	9.505	10.950	10.950	10.898	10.894	10.896	11.039	11.031	11.034	10.895		11.066	10.961	11.058		11.051	11.076		11.058
	BLYP	8.862	10.120	10.120	10.082	10.062	10.062	10.229	10.200	10.203	10.061		10.249	10.142	10.234		10.250	10.260		10.234
	B1B95	9.045	10.261	10.261	10.202	10.189	10.278	10.295	10.379	10.271	10.177		10.306	10.229	10.292		10.300	10.308		10.297
	B3LYP	9.081	10.325	10.325	10.272	10.247	10.244	10.376	10.356	10.358	10.241		10.392	10.309	10.380	10.395	10.389	10.398	10.402	10.380
	B3LYPultrafine		10.325			10.247	10.244	10.376	10.356				10.392	10.309	10.381		10.389	10.398
	B3PW91	9.266	10.513	10.513	10.431	10.412	10.408	10.511	10.493	10.492	10.402		10.520	10.453	10.509		10.508	10.522		10.509
	mPW1PW91	9.261	10.484	10.501	10.419	10.381	10.375	10.481	10.457	10.472	10.386		10.506	10.422	10.476		10.492	10.506		10.476
	M06-2X	9.061	10.298	10.298	10.223	10.217	10.203	10.312	10.325	10.320	10.214		10.332	10.240	10.341		10.313	10.355
	PBEPBE	9.124	10.414	10.414	10.364	10.350	10.346	10.491	10.456	10.456	10.344		10.502	10.413	10.488		10.499	10.511		10.488
	PBEPBEultrafine		10.415			10.350	10.346	10.492	10.456				10.502	10.413	10.487		10.499	10.512
	PBE1PBE	9.195	10.462	10.462	10.391	10.370	10.370	10.470	10.445	10.444	10.358		10.477	10.411	10.465		10.468	10.480
	HSEh1PBE	9.187	10.458	10.458	10.382	10.360	10.354	10.461	10.437	10.436	10.349		10.470	10.401	10.459		10.458	10.473
	TPSSh		10.405	10.405	10.327	10.403	10.299	10.405	10.382		10.292		10.414	10.281	10.404		10.396	10.419
	wB97X-D			10.348		10.215		10.317		10.288			10.318	10.317	10.298			10.314
	B97D3		10.347			10.247		10.358		10.327		10.372	10.371		10.360			10.385
		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	8.459	9.994	9.994	9.934	9.992	10.041	10.124	10.102	10.166	10.146		10.157	10.128	10.281	10.319	10.212	10.306	10.329	10.281
	MP2=FULL	8.457	9.993	9.993	9.933	9.998	10.049	10.131	10.110	10.173	10.156		10.166	10.132	10.297	10.338	10.216	10.323	10.348
	ROMP2	8.411	9.961	9.961	9.901	9.977	10.030	10.114	10.091	10.158	10.141		10.149	10.118	10.280		10.205
	MP3					9.981		10.035					10.150	10.132	10.287
	MP3=FULL					9.987		10.125					10.158	10.136	10.303
	MP4		9.975			9.979				10.161			10.152	10.122	10.296		10.226	10.324
	MP4=FULL		9.975			9.985				10.169				10.126	10.313		10.231	10.343
	B2PLYP	8.791	10.127	10.127	10.071	10.070	10.082	10.193	10.174	10.195	10.115		10.214	10.153	10.248		10.234	10.268
	B2PLYP=FULL	8.790	10.127	10.127	10.071	10.072	10.085	10.195	10.176	10.197	10.118		10.216	10.155	10.253		10.235	10.273
	B2PLYP=FULLultrafine	8.790	10.127	10.127	10.071		10.085	10.195	10.176	10.197	10.118		10.216				10.235
Configuration interaction	CID		9.962	9.962	9.906	9.945			10.050
Configuration interaction	CISD			9.966	9.910	9.953			10.060
		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		9.977	15.499	9.923	9.971	10.016	10.100	10.083	10.140	10.129		10.131	10.104	10.258		10.201	10.285		10.258
	QCISD(T)					9.978			10.095				10.149	10.115	10.291		10.223	10.322		10.291
	QCISD(T)=FULL					9.984		10.121						10.120	10.309	10.354	10.227	10.341	10.365
	QCISD(TQ)					9.978		10.114						10.117	10.293	10.335	10.225	10.324	10.345
	QCISD(TQ)=FULL					9.984		10.121						10.121	10.311	10.356	10.230	10.342	10.366
Coupled Cluster	CCD		9.971	9.971	9.918	9.962	10.007	10.089	10.071	10.129	10.116		10.117	10.095	10.243		10.187	10.268		10.243
	CCSD					9.970					10.128		10.129	10.103	10.257	10.293	10.199	10.283	10.302
	CCSD=FULL					9.977					10.139		10.138	10.107	10.275	10.314	10.203	10.302	10.322
	CCSD(T)					9.977	10.025		10.094				10.148	10.115	10.291	10.333	10.222	10.321	10.344	10.291
	CCSD(T)=FULL					9.984							10.157	10.119	10.309	10.354	10.226	10.340
		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	9.686	9.613	9.737	9.648	9.782	9.780			9.681
density functional	B3LYP	10.243	10.207	10.288	10.253	10.404	10.391			10.394
density functional	PBEPBE									10.504
Moller Plesset perturbation	MP2	9.902	9.964	9.965	10.015	10.021	10.019			10.294

	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 CH2 (Methylene)

Calculated Ionization Energy for CH₂ (Methylene)