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

All data (experiment and calculated) in the CCCBDB for CuO (Copper Monoxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		153
	Energy 298.15K		135
	Atomization Enthalpy 298.15K	x	137	x
	Atomization Enthalpy 0K	x	140	x
	Entropy (298.15K)	x	130	x
	Entropy at any temperature		130
	Integrated Heat Capacity	x	130	x
	Heat Capacity (Cp)	x	130	x
	Nuclear Repulsion Energy		143
	HOMO-LUMO Energies		142
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	141
	Internal Coordinates	x	141	x
	Products of moments of inertia	x	141	x
	Rotational Constants	x	142	x
	Point Group		143
Vibrations	Vibrational Frequencies	x	140	x
	Vibrational Intensities		134
	Zero-point energies	x	140	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		100
	Dipole	x	100	x
	Quadrupole		98
	Polarizability		92
Other results	Spin		142
	Number of basis functions		5
	Diagnostics		2
	Conformations		1