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

All data (experiment and calculated) in the CCCBDB for BH₂ (boron dihydride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		309
	Energy 298.15K		288
	Atomization Enthalpy 298.15K	x	284	x
	Atomization Enthalpy 0K	x	292	x
	Entropy (298.15K)	x	245	x
	Entropy at any temperature		245
	Integrated Heat Capacity	x	245	x
	Heat Capacity (Cp)	x	245	x
	Nuclear Repulsion Energy		262
	HOMO-LUMO Energies		256
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	216
	Internal Coordinates	x	216	x
	Products of moments of inertia	x	236	x
	Rotational Constants	x	239	x
	Point Group		241
Vibrations	Vibrational Frequencies		241
	Vibrational Intensities		215
	Zero-point energies		241
	Vibrational scaling factors
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		179
	Dipole		159
	Quadrupole		166
	Polarizability		146
Other results	Spin		170
	Number of basis functions		29
	Diagnostics		6
	Conformations		1