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

All data (experiment and calculated) in the CCCBDB for C₄ (Carbon tetramer)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		265
	Energy 298.15K		249
	Atomization Enthalpy 298.15K	x	221	x
	Atomization Enthalpy 0K	x	224	x
	Entropy (298.15K)	x	212	x
	Entropy at any temperature		212
	Integrated Heat Capacity	x	212	x
	Heat Capacity (Cp)	x	212	x
	Nuclear Repulsion Energy		236
	HOMO-LUMO Energies		234
	Barriers to Internal Rotation		0
Geometries	Cartesians		222
	Internal Coordinates	x	222	x
	Products of moments of inertia		232
	Rotational Constants		238
	Point Group		238
Vibrations	Vibrational Frequencies	x	237	x
	Vibrational Intensities		226
	Zero-point energies		237
	Vibrational scaling factors
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		146
	Dipole		145
	Quadrupole		144
	Polarizability		135
Other results	Spin		214
	Number of basis functions		32
	Diagnostics		5
	Conformations		1