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

All data (experiment and calculated) in the CCCBDB for C₂ (Carbon diatomic)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		597
	Energy 298.15K		288
	Atomization Enthalpy 298.15K	x	278	x
	Atomization Enthalpy 0K	x	511	x
	Entropy (298.15K)	x	238	x
	Entropy at any temperature		238
	Integrated Heat Capacity	x	238	x
	Heat Capacity (Cp)	x	238	x
	Nuclear Repulsion Energy		551
	HOMO-LUMO Energies		535
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	485
	Internal Coordinates	x	485	x
	Products of moments of inertia	x	517	x
	Rotational Constants	x	528	x
	Point Group		532
Vibrations	Vibrational Frequencies	x	524	x
	Vibrational Intensities		453
	Zero-point energies	x	524	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	291
Electrostatics	Atom charges		332
	Dipole	x	321	x
	Quadrupole		318
	Polarizability		281
Other results	Spin		318
	Number of basis functions		35
	Diagnostics		6
	Conformations		1