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 F₃PO (Phosphoryl fluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		244
	Energy 298.15K		230
	Atomization Enthalpy 298.15K	x	163	x
	Atomization Enthalpy 0K	x	171	x
	Entropy (298.15K)	x	167	x
	Entropy at any temperature		167
	Integrated Heat Capacity	x	167	x
	Heat Capacity (Cp)	x	167	x
	Nuclear Repulsion Energy		218
	HOMO-LUMO Energies		215
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	204
	Internal Coordinates	x	203	x
	Products of moments of inertia		214
	Rotational Constants	x	219	x
	Point Group		220
Vibrations	Vibrational Frequencies	fun.	214	x
	Vibrational Intensities		228
	Zero-point energies	x	214	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		176
	Dipole	x	187	x
	Quadrupole		178
	Polarizability		167
Other results	Spin		0
	Number of basis functions		6
	Conformations		1