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 CH₃CHFCl (Ethane, 1-chloro-1-fluoro-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		249
	Energy 298.15K		240
	Atomization Enthalpy 298.15K	x	180	x
	Atomization Enthalpy 0K	x	180	x
	Entropy (298.15K)	x	172	x
	Entropy at any temperature		172
	Integrated Heat Capacity	x	172	x
	Heat Capacity (Cp)	x	172	x
	Nuclear Repulsion Energy		217
	HOMO-LUMO Energies		217
	Barriers to Internal Rotation		300
Geometries	Cartesians		202
	Internal Coordinates		201
	Products of moments of inertia	x	210	x
	Rotational Constants	x	215	x
	Point Group		214
Vibrations	Vibrational Frequencies		210
	Vibrational Intensities		221
	Zero-point energies		210
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		179
	Dipole		183
	Quadrupole		174
	Polarizability		166
Other results	Spin		0
	Number of basis functions		6
	Conformations		1