CCCBDB Elelctron affinities page 2

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composite	G2	-1.124
	G3B3	-1.214
	G4	-1.137

		3-21G	3-21G*	6-31G*	6-31+G**	6-311G**	6-31G(2df,p)	6-311+G(3df,2p)	cc-pVDZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	daug-cc-pVDZ	daug-cc-pVTZ
hartree fock	HF				-1.536			-1.369		-2.426	-0.686	-0.561	-0.488	-0.140	-0.119
density functional	BLYP										-0.352	-0.284		-0.019	-0.011
	B1B95				-1.128			-0.984			-0.454	-0.371			-0.051
	B3LYP				-0.939						-0.296	-0.223	-0.178	0.042	0.051
	B3LYPultrafine				-0.939						-0.296			0.042	0.051
	B3PW91				-1.002			-0.868			-0.323	-0.243		0.039	0.049
	mPW1PW91				-1.027			-0.890			-0.337	-0.253		0.038	0.049
	M06-2X		-2.735		-1.089			-0.966			-0.516	-0.449
	PBEPBE							-0.768			-0.254	-0.179		0.076	0.085
	PBEPBEultrafine							-0.768			-0.254	-0.179		0.076	0.085
	PBE1PBE				-1.017			-0.879			-0.327	-0.243		0.040	0.051
	HSEh1PBE				-1.002			-0.868			-0.320	-0.237		0.043	0.054
	TPSSh			-2.110	-1.101		-2.135	-0.955			-0.395	-0.301
	wB97X-D		-2.691	-2.187	-1.256	-1.817		-1.116	-1.244		-0.520	-0.306		-0.039	-0.006
	B97D3	-2.602		-2.147	-1.073	-1.706					-0.500				-0.231
		3-21G	3-21G*	6-31G*	6-31+G**	6-311G**	6-31G(2df,p)	6-311+G(3df,2p)	cc-pVDZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	daug-cc-pVDZ	daug-cc-pVTZ
Moller Plesset perturbation	MP2			-3.082	-1.320			-1.081			-0.505	-0.406		-0.094	-0.077
	MP2=FULL				-1.322			-1.084			-0.506	-0.409		-0.094	-0.077
	MP3							-1.090						-0.093
	MP3=FULL			-2.839	-1.323			-1.094			-0.507			-0.093
	MP4							-1.038			-0.474	-0.378		-0.082	-0.046
	MP4=FULL							-1.042			-0.475	-0.381		-0.082	-0.084
	B2PLYP							-0.972			-0.436	-0.353		-0.058	-0.058
	B2PLYP=FULL	-3.055		-2.473							-0.436	-0.354		-0.069
	B2PLYP=FULLultrafine				-1.135						-0.436			-0.065
Configuration interaction	CID							-1.196						-0.113
Configuration interaction	CISD							-1.192						-0.112
		3-21G	3-21G*	6-31G*	6-31+G**	6-311G**	6-31G(2df,p)	6-311+G(3df,2p)	cc-pVDZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	daug-cc-pVDZ	daug-cc-pVTZ
Quadratic configuration interaction	QCISD				-1.290			-1.060			-0.487			-0.078
	QCISD(T)							-1.019			-0.462	-0.367		-0.073	-0.037
	QCISD(T)=FULL				-1.260			-1.025			-0.463	-0.371		-0.073	-0.076
Coupled Cluster	CCD				-1.339			-1.110			-0.520			-0.098
	CCSD				-1.296			-1.068			-0.493			-0.082
	CCSD=FULL							-1.073			-0.494
	CCSD(T)				-1.258			-1.021			-0.464	-0.368		-0.074
	CCSD(T)=FULL							-1.026			-0.465	-0.373		-0.074
		3-21G	3-21G*	6-31G*	6-31+G**	6-311G**	6-31G(2df,p)	6-311+G(3df,2p)	cc-pVDZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	daug-cc-pVDZ	daug-cc-pVTZ

		CEP-31G	CEP-31G*	CEP-121G	CEP-121G*	LANL2DZ	SDD	cc-pVTZ-PP	aug-cc-pVTZ-PP	Def2TZVPP
density functional	B3LYP									-1.384
density functional	PBEPBE									-1.365

	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 Electron Affininty for CH3CN (Acetonitrile)

Calculated Electron Affininty for CH₃CN (Acetonitrile)