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

All data (experiment and calculated) in the CCCBDB for NaH (sodium hydride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		251
	Energy 298.15K		232
	Atomization Enthalpy 298.15K	x	226	x
	Atomization Enthalpy 0K	x	231	x
	Entropy (298.15K)	x	200	x
	Entropy at any temperature		200
	Integrated Heat Capacity	x	200	x
	Heat Capacity (Cp)	x	200	x
	Nuclear Repulsion Energy		222
	HOMO-LUMO Energies		198
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	175
	Internal Coordinates	x	175	x
	Products of moments of inertia	x	212	x
	Rotational Constants	x	214	x
	Point Group		222
Vibrations	Vibrational Frequencies	x	215	x
	Vibrational Intensities		190
	Zero-point energies	x	215	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		142
	Dipole		144
	Quadrupole		139
	Polarizability		132
Other results	Spin		12
	Number of basis functions		32
	Diagnostics		5
	Conformations		1