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 S₄ (Sulfur tetramer)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		2037
	Energy 298.15K		30
	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		2040
	HOMO-LUMO Energies		1789
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	2040
	Internal Coordinates	x	2040	x
	Products of moments of inertia	x	2016	x
	Rotational Constants	x	2040	x
	Point Group		2043
Vibrations	Vibrational Frequencies		1998
	Vibrational Intensities		1802
	Zero-point energies		1998
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		1234
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		1133
	Dipole		1516
	Quadrupole		1292
	Polarizability		1317
Other results	Spin		0
	Number of basis functions		111
	Conformations		3	x