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 ZnS (Zinc sulfide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		290
	Energy 298.15K		263
	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		282
	HOMO-LUMO Energies		284
	Barriers to Internal Rotation		0
Geometries	Cartesians		284
	Internal Coordinates	x	282	x
	Products of moments of inertia	x	269	x
	Rotational Constants	x	274	x
	Point Group		290
Vibrations	Vibrational Frequencies	fun. har.	273	x
	Vibrational Intensities		258
	Zero-point energies	x	273	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		9
Electronic States	Electronic states	x	34
Electrostatics	Atom charges		180
	Dipole		189
	Quadrupole		181
	Polarizability		210
Other results	Spin		36
	Number of basis functions		24
	Conformations		1