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

All data (experiment and calculated) in the CCCBDB for BeH (beryllium monohydride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		268
	Energy 298.15K		247
	Atomization Enthalpy 298.15K	x	234	x
	Atomization Enthalpy 0K	x	245	x
	Entropy (298.15K)	x	216	x
	Entropy at any temperature		216
	Integrated Heat Capacity	x	216	x
	Heat Capacity (Cp)	x	216	x
	Nuclear Repulsion Energy		238
	HOMO-LUMO Energies		214
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	213
	Internal Coordinates	x	213	x
	Products of moments of inertia	x	228	x
	Rotational Constants	x	232	x
	Point Group		238
Vibrations	Vibrational Frequencies	x	233	x
	Vibrational Intensities		207
	Zero-point energies	x	233	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		141
	Dipole		160
	Quadrupole		158
	Polarizability		129
Other results	Spin		147
	Number of basis functions		32
	Diagnostics		5
	Conformations		1