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

All data (experiment and calculated) in the CCCBDB for C₆H₁₂ (Cyclobutane, ethyl-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		172
	Energy 298.15K		161
	Atomization Enthalpy 298.15K	x	157	x
	Atomization Enthalpy 0K	x	158	x
	Entropy (298.15K)		153
	Entropy at any temperature		153
	Integrated Heat Capacity		152
	Heat Capacity (Cp)	x	152	x
	Nuclear Repulsion Energy		168
	HOMO-LUMO Energies		160
	Barriers to Internal Rotation		0
Geometries	Cartesians		142
	Internal Coordinates		142
	Products of moments of inertia		160
	Rotational Constants		164
	Point Group		165
Vibrations	Vibrational Frequencies		163
	Vibrational Intensities		162
	Zero-point energies		163
	Vibrational scaling factors
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		147
	Dipole		148
	Quadrupole		145
	Polarizability		129
Other results	Spin		0
	Number of basis functions		22
	Diagnostics		3
	Conformations		1