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 CBrCl₂F (bromodichlorofluoromethane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		517
	Energy 298.15K		483
	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		517
	HOMO-LUMO Energies		461
	Barriers to Internal Rotation		0
Geometries	Cartesians		512
	Internal Coordinates		512
	Products of moments of inertia		505
	Rotational Constants		512
	Point Group		518
Vibrations	Vibrational Frequencies	fun.	501	x
	Vibrational Intensities		477
	Zero-point energies	x	501	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		368
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		294
	Dipole		414
	Quadrupole		335
	Polarizability		349
Other results	Spin		0
	Number of basis functions		29
	Conformations		1