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

All data (experiment and calculated) in the CCCBDB for CuF (Copper monofluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		183
	Energy 298.15K		170
	Atomization Enthalpy 298.15K	x	169	x
	Atomization Enthalpy 0K	x	169	x
	Entropy (298.15K)	x	165	x
	Entropy at any temperature		165
	Integrated Heat Capacity	x	165	x
	Heat Capacity (Cp)	x	165	x
	Nuclear Repulsion Energy		174
	HOMO-LUMO Energies		173
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	174
	Internal Coordinates	x	174	x
	Products of moments of inertia		172
	Rotational Constants	x	173	x
	Point Group		175
Vibrations	Vibrational Frequencies	x	174	x
	Vibrational Intensities		157
	Zero-point energies	x	174	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		95
	Dipole	x	35	x
	Quadrupole		93
	Polarizability		96
Other results	Spin		0
	Number of basis functions		6
	Diagnostics		4
	Conformations		1