Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for SO₂ (Sulfur dioxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		1166
	Energy 298.15K		828
	Atomization Enthalpy 298.15K	x	38	x
	Atomization Enthalpy 0K	x	39	x
	Entropy (298.15K)	x	32	x
	Entropy at any temperature		32
	Integrated Heat Capacity	x	32	x
	Heat Capacity (Cp)	x	32	x
	Nuclear Repulsion Energy		1142
	HOMO-LUMO Energies		1027
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	1117
	Internal Coordinates	x	1117	x
	Products of moments of inertia	x	1108	x
	Rotational Constants	x	1118	x
	Point Group		1146
Vibrations	Vibrational Frequencies	fun. har.	1112	x
	Vibrational Intensities	x	1246	x
	Zero-point energies	x	1112	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		509
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		583
	Dipole	x	747	x
	Quadrupole	x	641	x
	Polarizability	x	633	x
Other results	Spin		2
	Number of basis functions		54
	Conformations		1