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

All data (experiment and calculated) in the CCCBDB for N₂O (Nitrous oxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		296
	Energy 298.15K		278
	Atomization Enthalpy 298.15K	x	276	x
	Atomization Enthalpy 0K	x	277	x
	Entropy (298.15K)	x	236	x
	Entropy at any temperature		236
	Integrated Heat Capacity	x	236	x
	Heat Capacity (Cp)	x	236	x
	Nuclear Repulsion Energy		259
	HOMO-LUMO Energies		224
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	209
	Internal Coordinates	x	209	x
	Products of moments of inertia	x	234	x
	Rotational Constants	x	237	x
	Point Group		238
Vibrations	Vibrational Frequencies	x	229	x
	Vibrational Intensities	x	203	x
	Zero-point energies	x	229	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		185
	Dipole	x	165	x
	Quadrupole	x	169	x
	Polarizability	x	145	x
Other results	Spin		12
	Number of basis functions		36
	Diagnostics		5
	Conformations		1