CCCBDB Ionization Energy page 2

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		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	aug-cc-pVDZ	aug-cc-pVTZ	daug-cc-pVTZ
hartree fock	HF		9.574	9.408	9.507	9.348	9.333	9.342	9.335		9.330		9.313	9.326	9.333	9.338		9.335
density functional	LSDA	7.933			10.533	10.409			10.431
	BLYP		9.861	9.731	9.836	9.711	9.705	9.755	9.755					9.688	9.739
	B3LYP		10.088	9.948	10.051	9.916	9.908	9.943	9.939		9.891		9.923	9.893	9.927	9.936
	B3LYPultrafine																9.934
	B3PW91		10.220	10.084	10.156	10.029	10.022	10.041	10.029		10.009			10.009	10.028
	mPW1PW91		10.199			10.012	10.005	10.026	10.018					9.990	10.011
	M06-2X			9.846		9.814
	PBE1PBE					10.013
	HSEh1PBE		10.181			10.002		10.015							9.999
	TPSSh					10.012		10.023			9.989				10.006
	wB97X-D			9.956		9.889		9.903		9.879			9.878	9.903	9.878		9.880
	B97D3		10.021			9.864		9.891		9.884		9.889	9.867		9.882		9.892
		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	aug-cc-pVDZ	aug-cc-pVTZ	daug-cc-pVTZ
Moller Plesset perturbation	MP2		9.572	9.539	9.529	9.502	9.528	9.544	9.504		9.701		9.581	9.614	9.764	9.707
	MP2=FULL		9.569			9.497	9.524	9.539	9.501					9.612
	MP3=FULL					9.466		9.509
	MP4		9.501			9.452									9.767
	B2PLYP					9.715									9.809
Configuration interaction	CID					9.421			9.418
Configuration interaction	CISD					9.419
		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	aug-cc-pVDZ	aug-cc-pVTZ	daug-cc-pVTZ
Quadratic configuration interaction	QCISD		9.473			9.416	9.436	9.452	9.417	9.450				9.527	9.704
Quadratic configuration interaction	QCISD(T)					9.420								9.536	9.740
Coupled Cluster	CCD		9.478			9.418	9.441	9.456	9.417					9.526	9.690
	CCSD					9.413
	CCSD(T)													9.535	9.739
		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	aug-cc-pVDZ	aug-cc-pVTZ	daug-cc-pVTZ

		CEP-31G	CEP-31G*	CEP-121G	CEP-121G*	LANL2DZ	SDD	cc-pVTZ-PP	aug-cc-pVTZ-PP	Def2TZVPP
hartree fock	HF	9.576	9.374	9.502	9.346	9.643	9.522			9.323
density functional	B3LYP	10.097	9.923	10.023	9.885	10.116	10.050			9.916
density functional	PBEPBE									9.953
Moller Plesset perturbation	MP2	9.550	9.580	9.502	9.568	9.590	9.522			9.753

	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 PH2 (Phosphino radical)

Calculated Ionization Energy for PH₂ (Phosphino radical)