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 CFBr₃ (fluorotribromomethane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		426
	Energy 298.15K		404
	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		408
	HOMO-LUMO Energies		395
	Barriers to Internal Rotation		0
Geometries	Cartesians		427
	Internal Coordinates		427
	Products of moments of inertia		419
	Rotational Constants		427
	Point Group		428
Vibrations	Vibrational Frequencies	fun.	422	x
	Vibrational Intensities		398
	Zero-point energies	x	422	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		261
	Dipole		360
	Quadrupole		290
	Polarizability		310
Other results	Spin		0
	Number of basis functions		27
	Conformations		1