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 CBr₂Cl₂ (dibromodichloromethane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		532
	Energy 298.15K		499
	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		512
	HOMO-LUMO Energies		478
	Barriers to Internal Rotation		0
Geometries	Cartesians		526
	Internal Coordinates		478
	Products of moments of inertia		525
	Rotational Constants		533
	Point Group		534
Vibrations	Vibrational Frequencies	fun.	519	x
	Vibrational Intensities		480
	Zero-point energies	x	519	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		311
	Dipole		429
	Quadrupole		349
	Polarizability		366
Other results	Spin		0
	Number of basis functions		29
	Conformations		1