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

All data (experiment and calculated) in the CCCBDB for BO₂ (Boron dioxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		257
	Energy 298.15K		240
	Atomization Enthalpy 298.15K	x	238	x
	Atomization Enthalpy 0K	x	242	x
	Entropy (298.15K)	x	198	x
	Entropy at any temperature		198
	Integrated Heat Capacity	x	198	x
	Heat Capacity (Cp)	x	198	x
	Nuclear Repulsion Energy		213
	HOMO-LUMO Energies		211
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	177
	Internal Coordinates	x	177	x
	Products of moments of inertia	x	193	x
	Rotational Constants	x	196	x
	Point Group		217
Vibrations	Vibrational Frequencies	x	196	x
	Vibrational Intensities		189
	Zero-point energies	x	196	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		201
	Dipole	x	160	x
	Quadrupole		159
	Polarizability		159
Other results	Spin		214
	Number of basis functions		30
	Diagnostics		4
	Conformations		1