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 CBrCl₃ (Methane, bromotrichloro-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		267
	Energy 298.15K		255
	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		263
	HOMO-LUMO Energies		266
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	266
	Internal Coordinates	x	265	x
	Products of moments of inertia		256
	Rotational Constants		262
	Point Group		267
Vibrations	Vibrational Frequencies	fun.	258	x
	Vibrational Intensities		250
	Zero-point energies	x	258	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		170
	Dipole		174
	Quadrupole		169
	Polarizability		200
Other results	Spin		0
	Number of basis functions		22
	Conformations		1