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

All data (experiment and calculated) in the CCCBDB for F₂ (Fluorine diatomic)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		308
	Energy 298.15K		288
	Atomization Enthalpy 298.15K	x	279	x
	Atomization Enthalpy 0K	x	282	x
	Entropy (298.15K)	x	247	x
	Entropy at any temperature		247
	Integrated Heat Capacity	x	247	x
	Heat Capacity (Cp)	x	247	x
	Nuclear Repulsion Energy		262
	HOMO-LUMO Energies		230
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	216
	Internal Coordinates	x	216	x
	Products of moments of inertia	x	237	x
	Rotational Constants	x	241	x
	Point Group		242
Vibrations	Vibrational Frequencies	x	241	x
	Vibrational Intensities		208
	Zero-point energies	x	241	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		175
	Dipole	x	165	x
	Quadrupole		102
	Polarizability		146
Other results	Spin		20
	Number of basis functions		36
	Diagnostics		6
	Conformations		1