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 CHBrCl₂ (Methane, bromodichloro-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		648
	Energy 298.15K		181
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity	x	0	x
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		645
	HOMO-LUMO Energies		613
	Barriers to Internal Rotation		0
Geometries	Cartesians		645
	Internal Coordinates		645
	Products of moments of inertia		638
	Rotational Constants		645
	Point Group		646
Vibrations	Vibrational Frequencies	fun.	632	x
	Vibrational Intensities		645
	Zero-point energies	x	632	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		334
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		391
	Dipole		502
	Quadrupole		407
	Polarizability		440
Other results	Spin		0
	Number of basis functions		34
	Conformations		1