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 CH₃CHCHF (trans-1-Fluoro-1-propene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		579
	Energy 298.15K		10
	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		580
	HOMO-LUMO Energies		530
	Barriers to Internal Rotation		0
Geometries	Cartesians		580
	Internal Coordinates		11
	Products of moments of inertia		572
	Rotational Constants		580
	Point Group		581
Vibrations	Vibrational Frequencies		554
	Vibrational Intensities		516
	Zero-point energies		554
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		411
Electronic States	Electronic states		0
Electrostatics	Atom charges		343
	Dipole		480
	Quadrupole		390
	Polarizability		405
Other results	Spin		0
	Number of basis functions		35
	Conformations		1