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

All data (experiment and calculated) in the CCCBDB for BCl (boron monochloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		265
	Energy 298.15K		242
	Atomization Enthalpy 298.15K	x	234	x
	Atomization Enthalpy 0K	x	248	x
	Entropy (298.15K)	x	226	x
	Entropy at any temperature		226
	Integrated Heat Capacity	x	226	x
	Heat Capacity (Cp)	x	226	x
	Nuclear Repulsion Energy		227
	HOMO-LUMO Energies		213
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	202
	Internal Coordinates	x	202	x
	Products of moments of inertia	x	207	x
	Rotational Constants	x	210	x
	Point Group		212
Vibrations	Vibrational Frequencies	x	209	x
	Vibrational Intensities		189
	Zero-point energies	x	209	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		158
	Dipole		150
	Quadrupole		146
	Polarizability		137
Other results	Spin		15
	Number of basis functions		32
	Diagnostics		6
	Conformations		1