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

All data (experiment and calculated) in the CCCBDB for ClF (Chlorine monofluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		325
	Energy 298.15K		267
	Atomization Enthalpy 298.15K	x	257	x
	Atomization Enthalpy 0K	x	266	x
	Entropy (298.15K)	x	249	x
	Entropy at any temperature		249
	Integrated Heat Capacity	x	249	x
	Heat Capacity (Cp)	x	249	x
	Nuclear Repulsion Energy		288
	HOMO-LUMO Energies		275
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	241
	Internal Coordinates	x	241	x
	Products of moments of inertia	x	267	x
	Rotational Constants	x	271	x
	Point Group		272
Vibrations	Vibrational Frequencies	x	269	x
	Vibrational Intensities		232
	Zero-point energies	x	269	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		186
	Dipole	x	174	x
	Quadrupole	x	169	x
	Polarizability		159
Other results	Spin		16
	Number of basis functions		36
	Diagnostics		6
	Conformations		1