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 ClF₃ (Chlorine trifluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		1139
	Energy 298.15K		701
	Atomization Enthalpy 298.15K	x	0	x
	Atomization Enthalpy 0K	x	0	x
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity	x	0	x
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		1139
	HOMO-LUMO Energies		1022
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	1143
	Internal Coordinates	x	1143	x
	Products of moments of inertia	x	1127	x
	Rotational Constants	x	1141	x
	Point Group		1145
Vibrations	Vibrational Frequencies	fun.	1140	x
	Vibrational Intensities		1032
	Zero-point energies	x	1140	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		10
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		671
	Dipole	x	891	x
	Quadrupole		756
	Polarizability	x	767	x
Other results	Spin		0
	Number of basis functions		60
	Conformations		2	x