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

All data (experiment and calculated) in the CCCBDB for C₅H₈ (Spiropentane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		193
	Energy 298.15K		181
	Atomization Enthalpy 298.15K	x	175	x
	Atomization Enthalpy 0K		180
	Entropy (298.15K)	x	168	x
	Entropy at any temperature		168
	Integrated Heat Capacity		168
	Heat Capacity (Cp)	x	168	x
	Nuclear Repulsion Energy		180
	HOMO-LUMO Energies		174
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	155
	Internal Coordinates	x	155	x
	Products of moments of inertia		170
	Rotational Constants	x	173	x
	Point Group		174
Vibrations	Vibrational Frequencies	x	175	x
	Vibrational Intensities		175
	Zero-point energies	x	175	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		150
	Dipole		152
	Quadrupole		149
	Polarizability		129
Other results	Spin		0
	Number of basis functions		23
	Diagnostics		4
	Conformations		1