I.B.3. (II.A.2.)

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		262
	Energy 298.15K		246
	Atomization Enthalpy 298.15K	x	240	x
	Atomization Enthalpy 0K	x	246	x
	Entropy (298.15K)	x	233	x
	Entropy at any temperature		233
	Integrated Heat Capacity	x	233	x
	Heat Capacity (Cp)	x	233	x
	Nuclear Repulsion Energy		236
	HOMO-LUMO Energies		208
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	199
	Internal Coordinates	x	199	x
	Products of moments of inertia	x	211	x
	Rotational Constants	x	215	x
	Point Group		218
Vibrations	Vibrational Frequencies	x	212	x
	Vibrational Intensities		193
	Zero-point energies	x	212	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		164
	Dipole	x	141	x
	Quadrupole		144
	Polarizability		138
Other results	Spin		157
	Number of basis functions		32
	Diagnostics		5
	Conformations		1