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 CHCl₂CClF₂ (Ethane, 1,2,2-trichloro-1,1-difluoro-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		10
	Energy 298.15K		0
	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		10
	HOMO-LUMO Energies		10
	Barriers to Internal Rotation		323
Geometries	Cartesians		10
	Internal Coordinates		10
	Products of moments of inertia		10
	Rotational Constants		10
	Point Group		12
Vibrations	Vibrational Frequencies		9
	Vibrational Intensities		9
	Zero-point energies		9
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		3
Electronic States	Electronic states		0
Electrostatics	Atom charges		8
	Dipole		10
	Quadrupole		10
	Polarizability		10
Other results	Spin		0
	Number of basis functions		2
	Conformations		2	x