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 NO₃ (Nitrogen trioxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		258
	Energy 298.15K		228
	Atomization Enthalpy 298.15K	x	133	x
	Atomization Enthalpy 0K	x	136	x
	Entropy (298.15K)	x	112	x
	Entropy at any temperature		112
	Integrated Heat Capacity	x	112	x
	Heat Capacity (Cp)	x	112	x
	Nuclear Repulsion Energy		232
	HOMO-LUMO Energies		142
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	232
	Internal Coordinates	x	226	x
	Products of moments of inertia	x	232	x
	Rotational Constants	x	240	x
	Point Group		244
Vibrations	Vibrational Frequencies	fun.	235	x
	Vibrational Intensities		294
	Zero-point energies	x	235	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		156
	Dipole		168
	Quadrupole		159
	Polarizability		293
Other results	Spin		225
	Number of basis functions		63
	Conformations		3	x