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 PO₂ (Phosphorus dioxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		243
	Energy 298.15K		229
	Atomization Enthalpy 298.15K	x	164	x
	Atomization Enthalpy 0K	x	168	x
	Entropy (298.15K)	x	161	x
	Entropy at any temperature		161
	Integrated Heat Capacity	x	161	x
	Heat Capacity (Cp)	x	161	x
	Nuclear Repulsion Energy		177
	HOMO-LUMO Energies		179
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	180
	Internal Coordinates	x	179	x
	Products of moments of inertia	x	176	x
	Rotational Constants	x	180	x
	Point Group		181
Vibrations	Vibrational Frequencies	fun.	175	x
	Vibrational Intensities		262
	Zero-point energies	x	175	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		100
	Dipole		118
	Quadrupole		113
	Polarizability		135
Other results	Spin		168
	Number of basis functions		30
	Conformations		1