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 C₃F₈ (perfluoropropane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		222
	Energy 298.15K		130
	Atomization Enthalpy 298.15K	x	0	x
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		221
	HOMO-LUMO Energies		224
	Barriers to Internal Rotation		0
Geometries	Cartesians		224
	Internal Coordinates	x	223	x
	Products of moments of inertia		213
	Rotational Constants		222
	Point Group		225
Vibrations	Vibrational Frequencies	fun.	220	x
	Vibrational Intensities		223
	Zero-point energies		220
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		160
	Dipole		162
	Quadrupole		157
	Polarizability	x	179	x
Other results	Spin		0
	Number of basis functions		27
	Conformations		2	x