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

All data (experiment and calculated) in the CCCBDB for FO₂ (Dioxygen monofluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		219
	Energy 298.15K		156
	Atomization Enthalpy 298.15K	x	156	x
	Atomization Enthalpy 0K	x	203	x
	Entropy (298.15K)	x	135	x
	Entropy at any temperature		135
	Integrated Heat Capacity	x	135	x
	Heat Capacity (Cp)	x	135	x
	Nuclear Repulsion Energy		177
	HOMO-LUMO Energies		153
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	126
	Internal Coordinates	x	126	x
	Products of moments of inertia	x	144	x
	Rotational Constants	x	148	x
	Point Group		167
Vibrations	Vibrational Frequencies	x	129	x
	Vibrational Intensities		126
	Zero-point energies	x	129	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		146
	Dipole		120
	Quadrupole		81
	Polarizability		91
Other results	Spin		138
	Number of basis functions		19
	Diagnostics		5
	Conformations		1