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

All data (experiment and calculated) in the CCCBDB for N₂O₃ (Dinitrogen trioxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		222
	Energy 298.15K		206
	Atomization Enthalpy 298.15K	x	197	x
	Atomization Enthalpy 0K	x	196	x
	Entropy (298.15K)	x	201	x
	Entropy at any temperature		201
	Integrated Heat Capacity	x	201	x
	Heat Capacity (Cp)	x	201	x
	Nuclear Repulsion Energy		213
	HOMO-LUMO Energies		207
	Barriers to Internal Rotation		15
Geometries	Cartesians	x	210
	Internal Coordinates	x	210	x
	Products of moments of inertia	x	210	x
	Rotational Constants	x	216	x
	Point Group		215
Vibrations	Vibrational Frequencies	x	216	x
	Vibrational Intensities		205
	Zero-point energies	x	216	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		133
	Dipole	x	133	x
	Quadrupole		131
	Polarizability		134
Other results	Spin		0
	Number of basis functions		28
	Diagnostics		5
	Conformations		1