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

All data (experiment and calculated) in the CCCBDB for HBr (hydrogen bromide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		225
	Energy 298.15K		202
	Atomization Enthalpy 298.15K	x	191	x
	Atomization Enthalpy 0K	x	192	x
	Entropy (298.15K)	x	181	x
	Entropy at any temperature		181
	Integrated Heat Capacity	x	181	x
	Heat Capacity (Cp)	x	181	x
	Nuclear Repulsion Energy		202
	HOMO-LUMO Energies		197
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	201
	Internal Coordinates	x	201	x
	Products of moments of inertia	x	200	x
	Rotational Constants	x	201	x
	Point Group		202
Vibrations	Vibrational Frequencies	x	201	x
	Vibrational Intensities		186
	Zero-point energies	x	201	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		123
	Dipole	x	123	x
	Quadrupole		177
	Polarizability		124
Other results	Spin		12
	Number of basis functions		26
	Diagnostics		6
	Conformations		1