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 CHFClI (fluorochloroiodomethane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		177
	Energy 298.15K		3
	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		186
	HOMO-LUMO Energies		171
	Barriers to Internal Rotation		0
Geometries	Cartesians		186
	Internal Coordinates		186
	Products of moments of inertia	x	183	x
	Rotational Constants	x	186	x
	Point Group		187
Vibrations	Vibrational Frequencies	fun.	182	x
	Vibrational Intensities		169
	Zero-point energies	x	182	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		116
Electronic States	Electronic states		0
Electrostatics	Atom charges		110
	Dipole		151
	Quadrupole		125
	Polarizability		131
Other results	Spin		0
	Number of basis functions		13
	Conformations		1