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

All data (experiment and calculated) in the CCCBDB for BS (boron sulfide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		275
	Energy 298.15K		248
	Atomization Enthalpy 298.15K	x	241	x
	Atomization Enthalpy 0K	x	257	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		235
	HOMO-LUMO Energies		215
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	207
	Internal Coordinates	x	207	x
	Products of moments of inertia	x	214	x
	Rotational Constants	x	217	x
	Point Group		219
Vibrations	Vibrational Frequencies	x	217	x
	Vibrational Intensities		200
	Zero-point energies	x	217	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		169
	Dipole		152
	Quadrupole		157
	Polarizability		139
Other results	Spin		157
	Number of basis functions		31
	Diagnostics		6
	Conformations		1