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 PF₂ (Phosphorus difluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		659
	Energy 298.15K		10
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		660
	HOMO-LUMO Energies		567
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	660
	Internal Coordinates	x	660	x
	Products of moments of inertia	x	652	x
	Rotational Constants	x	660	x
	Point Group		661
Vibrations	Vibrational Frequencies	fun.	659	x
	Vibrational Intensities		566
	Zero-point energies	x	659	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		421
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		380
	Dipole		510
	Quadrupole		419
	Polarizability		410
Other results	Spin		660
	Number of basis functions		70
	Conformations		1