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 CBr₂ClF (dibromochlorofluoromethane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		609
	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		610
	HOMO-LUMO Energies		546
	Barriers to Internal Rotation		0
Geometries	Cartesians		610
	Internal Coordinates		610
	Products of moments of inertia		602
	Rotational Constants		610
	Point Group		611
Vibrations	Vibrational Frequencies	fun.	580	x
	Vibrational Intensities		533
	Zero-point energies	x	580	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		417
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		344
	Dipole		486
	Quadrupole		394
	Polarizability		407
Other results	Spin		0
	Number of basis functions		32
	Conformations		1