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

All data (experiment and calculated) in the CCCBDB for Li₂ (Lithium diatomic)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		245
	Energy 298.15K		229
	Atomization Enthalpy 298.15K	x	218	x
	Atomization Enthalpy 0K	x	226	x
	Entropy (298.15K)	x	193	x
	Entropy at any temperature		193
	Integrated Heat Capacity	x	193	x
	Heat Capacity (Cp)	x	193	x
	Nuclear Repulsion Energy		217
	HOMO-LUMO Energies		191
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	190
	Internal Coordinates	x	190	x
	Products of moments of inertia	x	210	x
	Rotational Constants	x	214	x
	Point Group		218
Vibrations	Vibrational Frequencies	x	213	x
	Vibrational Intensities		192
	Zero-point energies	x	213	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	7
Electrostatics	Atom charges		143
	Dipole	x	148	x
	Quadrupole		144
	Polarizability		133
Other results	Spin		8
	Number of basis functions		33
	Diagnostics		5
	Conformations		1