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

All data (experiment and calculated) in the CCCBDB for ZnH₂ (Zinc hydride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		164
	Energy 298.15K		7
	Atomization Enthalpy 298.15K		6
	Atomization Enthalpy 0K		151
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		162
	HOMO-LUMO Energies		162
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	162
	Internal Coordinates	x	162	x
	Products of moments of inertia	x	157	x
	Rotational Constants	x	162	x
	Point Group		164
Vibrations	Vibrational Frequencies		162
	Vibrational Intensities		155
	Zero-point energies	x	162	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		98
	Dipole		98
	Quadrupole		98
	Polarizability		99
Other results	Spin		0
	Number of basis functions		20
	Diagnostics		0
	Conformations		2	x