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 cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		663
	Energy 298.15K		575
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		655
	HOMO-LUMO Energies		653
	Barriers to Internal Rotation		0
Geometries	Cartesians		659
	Internal Coordinates		657
	Products of moments of inertia		638
	Rotational Constants		653
	Point Group		663
Vibrations	Vibrational Frequencies		650
	Vibrational Intensities		755
	Zero-point energies		650
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		409
	Dipole		476
	Quadrupole		449
	Polarizability		378
Other results	Spin		0
	Number of basis functions		63
	Conformations		3	x