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 CFClCClF (trans-1,2-dichloro-1,2-difluoroethylene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		450
	Energy 298.15K		429
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		430
	HOMO-LUMO Energies		409
	Barriers to Internal Rotation		0
Geometries	Cartesians		450
	Internal Coordinates		450
	Products of moments of inertia		442
	Rotational Constants		450
	Point Group		452
Vibrations	Vibrational Frequencies	fun.	447	x
	Vibrational Intensities		417
	Zero-point energies	x	447	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		267
	Dipole		372
	Quadrupole		302
	Polarizability		319
Other results	Spin		0
	Number of basis functions		29
	Conformations		1