CCCBDB Elelctron affinities page 2

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composite	G2	-0.533
	G3	-0.512
	G4	-0.443
	CBS-Q	-0.473

		STO-3G	3-21G	3-21G*	6-31G	6-31G*	6-31G**	6-31+G**	6-311G*	6-311G**	6-31G(2df,p)	TZVP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ
density functional	B3PW91		-1.466	-1.466	-0.622	-1.240	-1.240	-0.288	-1.074				-1.294	-0.861
density functional	TPSSh					-1.293
Moller Plesset perturbation	MP3					-1.603
	MP3=FULL					-1.623		-0.709
	MP4		-2.491			-1.818				-1.712				-1.223
Configuration interaction	CID		-2.069	-2.069	-1.046	-1.646			-1.595
Configuration interaction	CISD			-2.079	-1.057	-1.654			-1.598
		STO-3G	3-21G	3-21G*	6-31G	6-31G*	6-31G**	6-31+G**	6-311G*	6-311G**	6-31G(2df,p)	TZVP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ
Quadratic configuration interaction	QCISD		-2.145	-2.145	-1.088	-1.620	-1.620	-0.590	-1.533	-1.533	-1.645		-1.729	-1.091		-0.553	-0.570
Quadratic configuration interaction	QCISD(T)					-1.688							-1.789	-1.108
Coupled Cluster	CCD		-2.136	-2.136	-1.084	-1.626	-1.626	-0.687	-1.554	-1.554	-1.669		-1.749	-1.127		-0.660	-0.655
	CCSD					-1.615							-1.727	-1.093
	CCSD(T)					-1.685							-1.787	-1.109	-0.832	-0.558	-0.546
	CCSD(T)=FULL					-1.705							-1.795	-1.161	-0.856	-0.567	-0.616
		STO-3G	3-21G	3-21G*	6-31G	6-31G*	6-31G**	6-31+G**	6-311G*	6-311G**	6-31G(2df,p)	TZVP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ

		CEP-31G	CEP-31G*	CEP-121G	CEP-121G*	LANL2DZ	SDD	cc-pVTZ-PP	aug-cc-pVTZ-PP	Def2TZVPP
hartree fock	HF	-0.160

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Calculated Electron Affininty for CO2 (Carbon dioxide)

Calculated Electron Affininty for CO₂ (Carbon dioxide)