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 CHBrCHBr (Ethene, 1,2-dibromo-, (E)-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		547
	Energy 298.15K		515
	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		525
	HOMO-LUMO Energies		492
	Barriers to Internal Rotation		0
Geometries	Cartesians		538
	Internal Coordinates		25
	Products of moments of inertia		538
	Rotational Constants		546
	Point Group		549
Vibrations	Vibrational Frequencies	fun.	535	x
	Vibrational Intensities		493
	Zero-point energies		535
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		320
	Dipole		443
	Quadrupole		361
	Polarizability		379
Other results	Spin		0
	Number of basis functions		31
	Conformations		1