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

All data (experiment and calculated) in the CCCBDB for OClO (Chlorine dioxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		253
	Energy 298.15K		229
	Atomization Enthalpy 298.15K	x	225	x
	Atomization Enthalpy 0K	x	234	x
	Entropy (298.15K)	x	213	x
	Entropy at any temperature		213
	Integrated Heat Capacity	x	213	x
	Heat Capacity (Cp)	x	213	x
	Nuclear Repulsion Energy		215
	HOMO-LUMO Energies		197
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	187
	Internal Coordinates	x	187	x
	Products of moments of inertia	x	192	x
	Rotational Constants	x	196	x
	Point Group		199
Vibrations	Vibrational Frequencies	x	195	x
	Vibrational Intensities		189
	Zero-point energies	x	195	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		167
	Dipole	x	149	x
	Quadrupole		153
	Polarizability		132
Other results	Spin		147
	Number of basis functions		32
	Diagnostics		5
	Conformations		1