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

All data (experiment and calculated) in the CCCBDB for N₂ (Nitrogen diatomic)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		305
	Energy 298.15K		292
	Atomization Enthalpy 298.15K	x	282	x
	Atomization Enthalpy 0K	x	284	x
	Entropy (298.15K)	x	251	x
	Entropy at any temperature		251
	Integrated Heat Capacity	x	251	x
	Heat Capacity (Cp)	x	251	x
	Nuclear Repulsion Energy		259
	HOMO-LUMO Energies		231
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	213
	Internal Coordinates	x	213	x
	Products of moments of inertia	x	236	x
	Rotational Constants	x	240	x
	Point Group		241
Vibrations	Vibrational Frequencies	x	237	x
	Vibrational Intensities		204
	Zero-point energies	x	237	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		170
	Dipole	x	160	x
	Quadrupole	x	158	x
	Polarizability	x	148	x
Other results	Spin		27
	Number of basis functions		36
	Diagnostics		6
	Conformations		1