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 Br₃^- (tribromide anion)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		596
	Energy 298.15K		10
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		597
	HOMO-LUMO Energies		542
	Barriers to Internal Rotation		0
Geometries	Cartesians		597
	Internal Coordinates		11
	Products of moments of inertia		589
	Rotational Constants		597
	Point Group		598
Vibrations	Vibrational Frequencies	fun.	580	x
	Vibrational Intensities		519
	Zero-point energies		580
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		432
Electronic States	Electronic states		0
Electrostatics	Atom charges		355
	Dipole		507
	Quadrupole		412
	Polarizability		422
Other results	Spin		0
	Number of basis functions		34
	Conformations		1