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

All data (experiment and calculated) in the CCCBDB for CaH (Calcium monohydride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		172
	Energy 298.15K		162
	Atomization Enthalpy 298.15K		138
	Atomization Enthalpy 0K		139
	Entropy (298.15K)		158
	Entropy at any temperature		158
	Integrated Heat Capacity		158
	Heat Capacity (Cp)		158
	Nuclear Repulsion Energy		170
	HOMO-LUMO Energies		170
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	170
	Internal Coordinates	x	170	x
	Products of moments of inertia	x	167	x
	Rotational Constants	x	170	x
	Point Group		171
Vibrations	Vibrational Frequencies	x	170	x
	Vibrational Intensities		148
	Zero-point energies	x	170	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		94
	Dipole		94
	Quadrupole		94
	Polarizability		94
Other results	Spin		170
	Number of basis functions		18
	Diagnostics		0
	Conformations		1