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

All data (experiment and calculated) in the CCCBDB for C₄H₈ (cyclobutane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		240
	Energy 298.15K		231
	Atomization Enthalpy 298.15K	x	225	x
	Atomization Enthalpy 0K	x	224	x
	Entropy (298.15K)	x	195	x
	Entropy at any temperature		195
	Integrated Heat Capacity		194
	Heat Capacity (Cp)	x	194	x
	Nuclear Repulsion Energy		195
	HOMO-LUMO Energies		187
	Barriers to Internal Rotation		0
Geometries	Cartesians		159
	Internal Coordinates	x	0	x
	Products of moments of inertia		175
	Rotational Constants	x	179	x
	Point Group		187
Vibrations	Vibrational Frequencies	x	178	x
	Vibrational Intensities		175
	Zero-point energies	x	178	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		157
	Dipole		155
	Quadrupole		150
	Polarizability		129
Other results	Spin		0
	Number of basis functions		27
	Diagnostics		5
	Conformations		1