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

All data (experiment and calculated) in the CCCBDB for O₃ (Ozone)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		299
	Energy 298.15K		281
	Atomization Enthalpy 298.15K	x	273	x
	Atomization Enthalpy 0K	x	275	x
	Entropy (298.15K)	x	236	x
	Entropy at any temperature		236
	Integrated Heat Capacity	x	236	x
	Heat Capacity (Cp)	x	236	x
	Nuclear Repulsion Energy		266
	HOMO-LUMO Energies		231
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	219
	Internal Coordinates	x	219	x
	Products of moments of inertia	x	229	x
	Rotational Constants	x	233	x
	Point Group		234
Vibrations	Vibrational Frequencies	x	232	x
	Vibrational Intensities	x	201	x
	Zero-point energies	x	232	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		170
	Dipole	x	158	x
	Quadrupole	x	153	x
	Polarizability		138
Other results	Spin		12
	Number of basis functions		33
	Diagnostics		6
	Conformations		1