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

All data (experiment and calculated) in the CCCBDB for C₅H₈ (Cyclobutane, methylene-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		208
	Energy 298.15K		198
	Atomization Enthalpy 298.15K	x	190	x
	Atomization Enthalpy 0K	x	192	x
	Entropy (298.15K)	x	186	x
	Entropy at any temperature		186
	Integrated Heat Capacity	x	186	x
	Heat Capacity (Cp)	x	186	x
	Nuclear Repulsion Energy		202
	HOMO-LUMO Energies		176
	Barriers to Internal Rotation		0
Geometries	Cartesians		179
	Internal Coordinates	x	0	x
	Products of moments of inertia	x	193	x
	Rotational Constants	x	197	x
	Point Group		197
Vibrations	Vibrational Frequencies		197
	Vibrational Intensities		196
	Zero-point energies		197
	Vibrational scaling factors
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		150
	Dipole		151
	Quadrupole	x	148	x
	Polarizability		128
Other results	Spin		0
	Number of basis functions		23
	Diagnostics		4
	Conformations		1