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

All data (experiment and calculated) in the CCCBDB for LiH (Lithium Hydride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		279
	Energy 298.15K		263
	Atomization Enthalpy 298.15K	x	250	x
	Atomization Enthalpy 0K	x	261	x
	Entropy (298.15K)	x	230	x
	Entropy at any temperature		230
	Integrated Heat Capacity	x	230	x
	Heat Capacity (Cp)	x	230	x
	Nuclear Repulsion Energy		262
	HOMO-LUMO Energies		248
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	215
	Internal Coordinates	x	215	x
	Products of moments of inertia	x	240	x
	Rotational Constants	x	246	x
	Point Group		260
Vibrations	Vibrational Frequencies	x	247	x
	Vibrational Intensities		207
	Zero-point energies	x	247	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		148
	Dipole	x	149	x
	Quadrupole		148
	Polarizability		148
Other results	Spin		26
	Number of basis functions		35
	Diagnostics		6
	Conformations		1