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 CHFClCHFCl (1,2-dichloro-1,2-difluoroethane RR)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		440
	Energy 298.15K		411
	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		441
	HOMO-LUMO Energies		407
	Barriers to Internal Rotation		219
Geometries	Cartesians		441
	Internal Coordinates		441
	Products of moments of inertia		433
	Rotational Constants		441
	Point Group		442
Vibrations	Vibrational Frequencies		438
	Vibrational Intensities		414
	Zero-point energies		438
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		268
	Dipole		371
	Quadrupole		306
	Polarizability		322
Other results	Spin		0
	Number of basis functions		31
	Conformations		3	x