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

All data (experiment and calculated) in the CCCBDB for B₂Cl₄ (Diboron tetrachloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		190
	Energy 298.15K		172
	Atomization Enthalpy 298.15K	x	169	x
	Atomization Enthalpy 0K	x	172	x
	Entropy (298.15K)	x	168	x
	Entropy at any temperature		168
	Integrated Heat Capacity	x	168	x
	Heat Capacity (Cp)	x	168	x
	Nuclear Repulsion Energy		173
	HOMO-LUMO Energies		160
	Barriers to Internal Rotation	x	10	x
Geometries	Cartesians	x	155
	Internal Coordinates	x	155	x
	Products of moments of inertia		165
	Rotational Constants		167
	Point Group		171
Vibrations	Vibrational Frequencies	x	167	x
	Vibrational Intensities		167
	Zero-point energies		167
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		142
	Dipole	x	145	x
	Quadrupole		142
	Polarizability		128
Other results	Spin		0
	Number of basis functions		24
	Diagnostics		4
	Conformations		2	x