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

All data (experiment and calculated) in the CCCBDB for HO₂ (Hydroperoxy radical)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		327
	Energy 298.15K		310
	Atomization Enthalpy 298.15K	x	288	x
	Atomization Enthalpy 0K	x	293	x
	Entropy (298.15K)	x	267	x
	Entropy at any temperature		267
	Integrated Heat Capacity	x	267	x
	Heat Capacity (Cp)	x	267	x
	Nuclear Repulsion Energy		281
	HOMO-LUMO Energies		221
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	229
	Internal Coordinates	x	229	x
	Products of moments of inertia	x	245	x
	Rotational Constants	x	249	x
	Point Group		258
Vibrations	Vibrational Frequencies	x	227	x
	Vibrational Intensities		202
	Zero-point energies	x	227	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		172
	Dipole		160
	Quadrupole		165
	Polarizability		142
Other results	Spin		165
	Number of basis functions		32
	Diagnostics		6
	Conformations		1