I.B.3. (II.A.2.)

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		220
	Energy 298.15K		205
	Atomization Enthalpy 298.15K	x	197	x
	Atomization Enthalpy 0K	x	204	x
	Entropy (298.15K)	x	171	x
	Entropy at any temperature		171
	Integrated Heat Capacity	x	171	x
	Heat Capacity (Cp)	x	171	x
	Nuclear Repulsion Energy		198
	HOMO-LUMO Energies		67
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	185
	Internal Coordinates	x	185	x
	Products of moments of inertia	x	193	x
	Rotational Constants	x	197	x
	Point Group		199
Vibrations	Vibrational Frequencies	x	194	x
	Vibrational Intensities		191
	Zero-point energies	x	194	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		134
	Dipole		133
	Quadrupole		131
	Polarizability		133
Other results	Spin		170
	Number of basis functions		32
	Diagnostics		5
	Conformations		3	x