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

All data (experiment and calculated) in the CCCBDB for FO (Oxygen monofluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		292
	Energy 298.15K		273
	Atomization Enthalpy 298.15K	x	267	x
	Atomization Enthalpy 0K	x	273	x
	Entropy (298.15K)	x	234	x
	Entropy at any temperature		234
	Integrated Heat Capacity	x	234	x
	Heat Capacity (Cp)	x	234	x
	Nuclear Repulsion Energy		244
	HOMO-LUMO Energies		217
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	197
	Internal Coordinates	x	197	x
	Products of moments of inertia	x	216	x
	Rotational Constants	x	220	x
	Point Group		223
Vibrations	Vibrational Frequencies	x	219	x
	Vibrational Intensities		201
	Zero-point energies	x	219	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		180
	Dipole	x	159	x
	Quadrupole		97
	Polarizability		138
Other results	Spin		177
	Number of basis functions		32
	Diagnostics		6
	Conformations		1