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 CH₂BrCl (Methane, bromochloro-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		648
	Energy 298.15K		528
	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		649
	HOMO-LUMO Energies		582
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	649
	Internal Coordinates	x	649	x
	Products of moments of inertia		641
	Rotational Constants		649
	Point Group		650
Vibrations	Vibrational Frequencies	fun.	638	x
	Vibrational Intensities		584
	Zero-point energies	x	638	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		67
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		376
	Dipole		524
	Quadrupole		429
	Polarizability		444
Other results	Spin		0
	Number of basis functions		34
	Conformations		1