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 CF₃CHF₂ (pentafluoroethane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		459
	Energy 298.15K		432
	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		439
	HOMO-LUMO Energies		423
	Barriers to Internal Rotation		348
Geometries	Cartesians		460
	Internal Coordinates		460
	Products of moments of inertia	x	452	x
	Rotational Constants	x	460	x
	Point Group		461
Vibrations	Vibrational Frequencies	fun.	451	x
	Vibrational Intensities		425
	Zero-point energies	x	451	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		285
	Dipole	x	387	x
	Quadrupole		318
	Polarizability	x	336	x
Other results	Spin		0
	Number of basis functions		29
	Conformations		1