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

All data (experiment and calculated) in the CCCBDB for C₄H₆ (Methylenecyclopropane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		240
	Energy 298.15K		228
	Atomization Enthalpy 298.15K	x	222	x
	Atomization Enthalpy 0K	x	223	x
	Entropy (298.15K)	x	192	x
	Entropy at any temperature		192
	Integrated Heat Capacity	x	191	x
	Heat Capacity (Cp)	x	191	x
	Nuclear Repulsion Energy		196
	HOMO-LUMO Energies		190
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	166
	Internal Coordinates	x	166	x
	Products of moments of inertia	x	183	x
	Rotational Constants	x	187	x
	Point Group		187
Vibrations	Vibrational Frequencies	x	186	x
	Vibrational Intensities		184
	Zero-point energies	x	186	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		156
	Dipole	x	155	x
	Quadrupole	x	151	x
	Polarizability		133
Other results	Spin		0
	Number of basis functions		27
	Diagnostics		5
	Conformations		1