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 PF₃ (Phosphorus trifluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		289
	Energy 298.15K		275
	Atomization Enthalpy 298.15K	x	185	x
	Atomization Enthalpy 0K	x	188	x
	Entropy (298.15K)	x	175	x
	Entropy at any temperature		175
	Integrated Heat Capacity	x	175	x
	Heat Capacity (Cp)	x	175	x
	Nuclear Repulsion Energy		249
	HOMO-LUMO Energies		246
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	233
	Internal Coordinates	x	233	x
	Products of moments of inertia		242
	Rotational Constants	x	247	x
	Point Group		247
Vibrations	Vibrational Frequencies	fun.	242	x
	Vibrational Intensities	x	263	x
	Zero-point energies	x	242	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		188
	Dipole	x	215	x
	Quadrupole	x	196	x
	Polarizability	x	183	x
Other results	Spin		0
	Number of basis functions		7
	Conformations		1