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 SO₃⁺ (Sulfur trioxide cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		307
	Energy 298.15K		208
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		302
	HOMO-LUMO Energies		292
	Barriers to Internal Rotation		0
Geometries	Cartesians		304
	Internal Coordinates		304
	Products of moments of inertia		284
	Rotational Constants		292
	Point Group		306
Vibrations	Vibrational Frequencies		288
	Vibrational Intensities		270
	Zero-point energies		288
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		177
	Dipole		190
	Quadrupole		185
	Polarizability		175
Other results	Spin		300
	Number of basis functions		89
	Conformations		2	x