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 CF₂ClCFCl₂ (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		209
	Energy 298.15K		196
	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		203
	HOMO-LUMO Energies		208
	Barriers to Internal Rotation		25
Geometries	Cartesians		208
	Internal Coordinates		207
	Products of moments of inertia		198
	Rotational Constants		206
	Point Group		213
Vibrations	Vibrational Frequencies		202
	Vibrational Intensities		204
	Zero-point energies		202
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		139
	Dipole		142
	Quadrupole		133
	Polarizability		157
Other results	Spin		0
	Number of basis functions		27
	Conformations		2	x