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

All data (experiment and calculated) in the CCCBDB for HF (Hydrogen fluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		340
	Energy 298.15K		320
	Atomization Enthalpy 298.15K	x	306	x
	Atomization Enthalpy 0K	x	308	x
	Entropy (298.15K)	x	273	x
	Entropy at any temperature		273
	Integrated Heat Capacity	x	273	x
	Heat Capacity (Cp)	x	273	x
	Nuclear Repulsion Energy		293
	HOMO-LUMO Energies		272
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	245
	Internal Coordinates	x	245	x
	Products of moments of inertia	x	265	x
	Rotational Constants	x	269	x
	Point Group		273
Vibrations	Vibrational Frequencies	x	270	x
	Vibrational Intensities		224
	Zero-point energies	x	270	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		176
	Dipole	x	166	x
	Quadrupole	x	160	x
	Polarizability		147
Other results	Spin		26
	Number of basis functions		36
	Diagnostics		6
	Conformations		1