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

All data (experiment and calculated) in the CCCBDB for C₅H₁₀ (Cyclopentane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		173
	Energy 298.15K		155
	Atomization Enthalpy 298.15K	x	151	x
	Atomization Enthalpy 0K	x	158	x
	Entropy (298.15K)	x	146	x
	Entropy at any temperature		146
	Integrated Heat Capacity	x	146	x
	Heat Capacity (Cp)	x	146	x
	Nuclear Repulsion Energy		166
	HOMO-LUMO Energies		59
	Barriers to Internal Rotation		0
Geometries	Cartesians		145
	Internal Coordinates	x	0	x
	Products of moments of inertia		158
	Rotational Constants		161
	Point Group		161
Vibrations	Vibrational Frequencies	x	161	x
	Vibrational Intensities		161
	Zero-point energies	x	161	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		137
	Dipole		139
	Quadrupole		136
	Polarizability		120
Other results	Spin		0
	Number of basis functions		23
	Diagnostics		4
	Conformations		2	x