CCCBDB Ionization Energy page 2

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		6-311G*
hartree fock	HF	9.673
density functional	BLYP	10.444
	B1B95	10.571
	B3LYP	10.650
	B3PW91	10.653
	mPW1PW91	10.629
	PBEPBE	10.555
		6-311G*
Moller Plesset perturbation	MP2	10.278
Moller Plesset perturbation	MP2=FULL	10.267
Configuration interaction	CID	10.130
Configuration interaction	CISD	10.125
		6-311G*
Quadratic configuration interaction	QCISD	10.188
Quadratic configuration interaction	QCISD(T)	10.197
Coupled Cluster	CCD	10.194
Coupled Cluster	CCSD(T)	10.197
		6-311G*

		CEP-31G	CEP-31G*	CEP-121G	CEP-121G*	LANL2DZ	SDD	cc-pVTZ-PP	aug-cc-pVTZ-PP	Def2TZVPP
hartree fock	HF							9.623		9.603
hartree fock	ROHF							9.752		9.732
density functional	LSDA							11.273		11.262
	BLYP							10.404		10.404
	B1B95							10.507		10.496
	B3LYP							10.614		10.606
	B3LYPultrafine							10.614		10.606
	B3PW91							10.616		10.602
	mPW1PW91							10.589		10.579
	M06-2X							10.389		10.375
	PBEPBE							10.508		10.505
	PBEPBEultrafine							10.508		10.505
	PBE1PBE							10.559		10.548
	HSEh1PBE							10.569		10.558
	TPSSh							10.567		10.558
	wB97X-D							10.584		10.565
	B97D3							10.486		10.480
Moller Plesset perturbation	MP2							10.545		10.573
	MP2=FULL							10.543		10.578
	ROMP2							10.521		10.528
	MP3							10.488		10.436
	MP3=FULL							10.482		10.434
	MP4							10.518		10.526
	MP4=FULL							10.514		10.528
	B2PLYP							10.540		10.539
	B2PLYP=FULL							10.539		10.541
Configuration interaction	CID							10.355		10.267
Configuration interaction	CISD							10.346		10.260
Quadratic configuration interaction	QCISD							10.452		10.434
	QCISD(T)							10.495		10.483
	QCISD(T)=FULL							10.490		10.483
Coupled Cluster	CCD							10.462		10.447
	CCSD							10.452		10.434
	CCSD=FULL							10.446		10.432
	CCSD(T)							10.495		10.483
	CCSD(T)=FULL									10.484

	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 HI (Hydrogen iodide)