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 C₂H₅Br (Ethyl bromide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		618
	Energy 298.15K		50
	Atomization Enthalpy 298.15K	x	13	x
	Atomization Enthalpy 0K		13
	Entropy (298.15K)		3
	Entropy at any temperature		3
	Integrated Heat Capacity		3
	Heat Capacity (Cp)		3
	Nuclear Repulsion Energy		605
	HOMO-LUMO Energies		551
	Barriers to Internal Rotation		448
Geometries	Cartesians		598
	Internal Coordinates	x	598	x
	Products of moments of inertia		590
	Rotational Constants		599
	Point Group		606
Vibrations	Vibrational Frequencies	fun.	579	x
	Vibrational Intensities		736
	Zero-point energies	x	579	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		334
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		386
	Dipole	x	490	x
	Quadrupole		411
	Polarizability	x	449	x
Other results	Spin		0
	Number of basis functions		34
	Conformations		1