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 C₃F₆ (hexafluoropropene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		533
	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		534
	HOMO-LUMO Energies		480
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	515
	Internal Coordinates	x	515	x
	Products of moments of inertia	x	505	x
	Rotational Constants	x	513	x
	Point Group		535
Vibrations	Vibrational Frequencies	fun.	485	x
	Vibrational Intensities		469
	Zero-point energies	x	485	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		31
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		317
	Dipole		436
	Quadrupole		360
	Polarizability	x	372	x
Other results	Spin		0
	Number of basis functions		31
	Conformations		1