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

All data (experiment and calculated) in the CCCBDB for HNO₂ (Nitrous acid)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		272
	Energy 298.15K		259
	Atomization Enthalpy 298.15K	x	252	x
	Atomization Enthalpy 0K	x	253	x
	Entropy (298.15K)	x	218	x
	Entropy at any temperature		218
	Integrated Heat Capacity	x	218	x
	Heat Capacity (Cp)	x	215	x
	Nuclear Repulsion Energy		233
	HOMO-LUMO Energies		209
	Barriers to Internal Rotation		17
Geometries	Cartesians	x	191
	Internal Coordinates	x	191	x
	Products of moments of inertia	x	204	x
	Rotational Constants	x	209	x
	Point Group		208
Vibrations	Vibrational Frequencies	x	210	x
	Vibrational Intensities		201
	Zero-point energies	x	210	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		169
	Dipole		158
	Quadrupole		152
	Polarizability		137
Other results	Spin		11
	Number of basis functions		33
	Diagnostics		5
	Conformations		1