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 CFClBrI (fluorochlorobromoiodomethane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		139
	Energy 298.15K		1
	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		145
	HOMO-LUMO Energies		137
	Barriers to Internal Rotation		0
Geometries	Cartesians		145
	Internal Coordinates		145
	Products of moments of inertia		144
	Rotational Constants		145
	Point Group		146
Vibrations	Vibrational Frequencies		142
	Vibrational Intensities		136
	Zero-point energies		142
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		114
Electronic States	Electronic states		0
Electrostatics	Atom charges		92
	Dipole		127
	Quadrupole		105
	Polarizability		111
Other results	Spin		0
	Number of basis functions		10
	Conformations		1