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

All data (experiment and calculated) in the CCCBDB for Cu₂ (Copper dimer)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		106
	Energy 298.15K		2
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		104
	HOMO-LUMO Energies		103
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	103
	Internal Coordinates	x	103	x
	Products of moments of inertia	x	101	x
	Rotational Constants	x	103	x
	Point Group		105
Vibrations	Vibrational Frequencies	x	103	x
	Vibrational Intensities		103
	Zero-point energies	x	103	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		64
	Dipole		9
	Quadrupole		64
	Polarizability		64
Other results	Spin		0
	Number of basis functions		16
	Diagnostics		0
	Conformations		1