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 S₂ (Sulfur diatomic)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		1101
	Energy 298.15K		1019
	Atomization Enthalpy 298.15K	x	33	x
	Atomization Enthalpy 0K	x	208	x
	Entropy (298.15K)	x	21	x
	Entropy at any temperature		21
	Integrated Heat Capacity	x	21	x
	Heat Capacity (Cp)	x	21	x
	Nuclear Repulsion Energy		1074
	HOMO-LUMO Energies		912
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	1047
	Internal Coordinates	x	1047	x
	Products of moments of inertia	x	1029	x
	Rotational Constants	x	1047	x
	Point Group		1080
Vibrations	Vibrational Frequencies	fun. har.	1025	x
	Vibrational Intensities		1231
	Zero-point energies	x	1025	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	269
Electrostatics	Atom charges		602
	Dipole	x	709	x
	Quadrupole		610
	Polarizability		619
Other results	Spin		811
	Number of basis functions		56
	Conformations		1