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 CHFCHClz ((Z)-1-Chloro-2-fluoroethene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		494
	Energy 298.15K		474
	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		473
	HOMO-LUMO Energies		447
	Barriers to Internal Rotation		0
Geometries	Cartesians		495
	Internal Coordinates		495
	Products of moments of inertia	x	487	x
	Rotational Constants	x	495	x
	Point Group		496
Vibrations	Vibrational Frequencies	fun.	493	x
	Vibrational Intensities		451
	Zero-point energies	x	493	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		294
	Dipole		406
	Quadrupole		331
	Polarizability		348
Other results	Spin		0
	Number of basis functions		30
	Conformations		1