Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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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		732
	Energy 298.15K		663
	Atomization Enthalpy 298.15K	x	15	x
	Atomization Enthalpy 0K	x	15	x
	Entropy (298.15K)	x	4	x
	Entropy at any temperature		4
	Integrated Heat Capacity	x	4	x
	Heat Capacity (Cp)	x	4	x
	Nuclear Repulsion Energy		718
	HOMO-LUMO Energies		614
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	709
	Internal Coordinates	x	709	x
	Products of moments of inertia	x	700	x
	Rotational Constants	x	709	x
	Point Group		719
Vibrations	Vibrational Frequencies	fun. har.	709	x
	Vibrational Intensities		801
	Zero-point energies	x	709	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		27
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		390
	Dipole	x	517	x
	Quadrupole		425
	Polarizability	x	416	x
Other results	Spin		7
	Number of basis functions		105
	Conformations		1