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 NS (Mononitrogen monosulfide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		765
	Energy 298.15K		638
	Atomization Enthalpy 298.15K	x	17	x
	Atomization Enthalpy 0K	x	19	x
	Entropy (298.15K)	x	13	x
	Entropy at any temperature		13
	Integrated Heat Capacity	x	13	x
	Heat Capacity (Cp)	x	13	x
	Nuclear Repulsion Energy		753
	HOMO-LUMO Energies		607
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	718
	Internal Coordinates	x	718	x
	Products of moments of inertia	x	712	x
	Rotational Constants	x	722	x
	Point Group		761
Vibrations	Vibrational Frequencies	fun. har.	720	x
	Vibrational Intensities		804
	Zero-point energies	x	720	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		418
	Dipole	x	512	x
	Quadrupole		432
	Polarizability		415
Other results	Spin		758
	Number of basis functions		80
	Conformations		1