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

All data (experiment and calculated) in the CCCBDB for OH (Hydroxyl radical)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		354
	Energy 298.15K		322
	Atomization Enthalpy 298.15K	x	314	x
	Atomization Enthalpy 0K	x	320	x
	Entropy (298.15K)	x	275	x
	Entropy at any temperature		275
	Integrated Heat Capacity	x	275	x
	Heat Capacity (Cp)	x	275	x
	Nuclear Repulsion Energy		314
	HOMO-LUMO Energies		304
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	264
	Internal Coordinates	x	264	x
	Products of moments of inertia	x	279	x
	Rotational Constants	x	286	x
	Point Group		315
Vibrations	Vibrational Frequencies	x	286	x
	Vibrational Intensities		230
	Zero-point energies	x	286	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		177
	Dipole	x	165	x
	Quadrupole		164
	Polarizability		160
Other results	Spin		295
	Number of basis functions		34
	Diagnostics		6
	Conformations		1