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

All data (experiment and calculated) in the CCCBDB for B₂O₂ (Diboron dioxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		239
	Energy 298.15K		227
	Atomization Enthalpy 298.15K	x	223	x
	Atomization Enthalpy 0K	x	222	x
	Entropy (298.15K)	x	193	x
	Entropy at any temperature		193
	Integrated Heat Capacity	x	193	x
	Heat Capacity (Cp)	x	193	x
	Nuclear Repulsion Energy		195
	HOMO-LUMO Energies		187
	Barriers to Internal Rotation		0
Geometries	Cartesians		166
	Internal Coordinates		166
	Products of moments of inertia		185
	Rotational Constants		187
	Point Group		189
Vibrations	Vibrational Frequencies	x	185	x
	Vibrational Intensities		180
	Zero-point energies	x	185	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		156
	Dipole	x	151	x
	Quadrupole		150
	Polarizability		132
Other results	Spin		0
	Number of basis functions		27
	Diagnostics		4
	Conformations		1