CCCBDB Ionization Energy page 2

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		3-21G	3-21G*	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-pVTZ	daug-cc-pVTZ
hartree fock	HF			9.396						9.309				9.205
density functional	BLYP			10.160
	B3LYP									10.366
	B3LYPultrafine												10.763
	M06-2X		10.537	10.477
	PBE1PBE			10.839
	HSEh1PBE	10.917			10.836							10.735
	TPSSh			10.456	10.465			10.327				10.352
	wB97X-D		10.612	10.480	10.489		10.504			10.434	10.489	10.368	10.372
	B97D3	10.527		10.308	10.335		10.357		10.258	10.283		10.230	10.239
		3-21G	3-21G*	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-pVTZ	daug-cc-pVTZ
Moller Plesset perturbation	MP2			10.339		10.382				10.359
	MP3=FULL			10.013	10.027
	B2PLYP			10.339								10.361
Coupled Cluster	CCSD(T)=FULL			10.102
		3-21G	3-21G*	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-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									9.195
density functional	B3LYP									10.302
density functional	PBEPBE									10.323
Moller Plesset perturbation	MP2									10.575

	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 P2 (Phosphorus diatomic)

Calculated Ionization Energy for P₂ (Phosphorus diatomic)