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

All data (experiment and calculated) in the CCCBDB for C₁₂H₈ (biphenylene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		142
	Energy 298.15K		7
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		141
	HOMO-LUMO Energies		141
	Barriers to Internal Rotation		0
Geometries	Cartesians		141
	Internal Coordinates	x	141	x
	Products of moments of inertia		135
	Rotational Constants		140
	Point Group		142
Vibrations	Vibrational Frequencies		140
	Vibrational Intensities		140
	Zero-point energies		140
	Vibrational scaling factors
	Anharmonic frequencies and constants
Electronic States	Electronic states		0
Electrostatics	Atom charges		111
	Dipole		111
	Quadrupole		111
	Polarizability		111
Other results	Spin		0
	Number of basis functions		24
	Diagnostics		0
	Conformations		1