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 CFCl₃ (Trichloromonofluoromethane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		245
	Energy 298.15K		233
	Atomization Enthalpy 298.15K	x	159	x
	Atomization Enthalpy 0K	x	167	x
	Entropy (298.15K)	x	163	x
	Entropy at any temperature		163
	Integrated Heat Capacity	x	163	x
	Heat Capacity (Cp)	x	163	x
	Nuclear Repulsion Energy		222
	HOMO-LUMO Energies		219
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	207
	Internal Coordinates	x	206	x
	Products of moments of inertia		218
	Rotational Constants	x	223	x
	Point Group		224
Vibrations	Vibrational Frequencies	fun.	219	x
	Vibrational Intensities	x	235	x
	Zero-point energies	x	219	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		180
	Dipole	x	190	x
	Quadrupole		183
	Polarizability	x	171	x
Other results	Spin		0
	Number of basis functions		6
	Conformations		1