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 LiS (Lithium monosulfide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		579
	Energy 298.15K		567
	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		577
	HOMO-LUMO Energies		481
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	579
	Internal Coordinates	x	579	x
	Products of moments of inertia	x	570	x
	Rotational Constants	x	578	x
	Point Group		581
Vibrations	Vibrational Frequencies	har.	577	x
	Vibrational Intensities		479
	Zero-point energies	x	577	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		339
	Dipole		420
	Quadrupole		352
	Polarizability		337
Other results	Spin		580
	Number of basis functions		67
	Conformations		1