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

All data (experiment and calculated) in the CCCBDB for BrCl (Bromine monochloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		231
	Energy 298.15K		216
	Atomization Enthalpy 298.15K	x	204	x
	Atomization Enthalpy 0K	x	205	x
	Entropy (298.15K)	x	196	x
	Entropy at any temperature		196
	Integrated Heat Capacity	x	196	x
	Heat Capacity (Cp)	x	196	x
	Nuclear Repulsion Energy		207
	HOMO-LUMO Energies		200
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	207
	Internal Coordinates	x	207	x
	Products of moments of inertia	x	206	x
	Rotational Constants	x	207	x
	Point Group		209
Vibrations	Vibrational Frequencies	x	207	x
	Vibrational Intensities		197
	Zero-point energies	x	207	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		129
	Dipole	x	129	x
	Quadrupole		127
	Polarizability		130
Other results	Spin		11
	Number of basis functions		27
	Diagnostics		6
	Conformations		1