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

All data (experiment and calculated) in the CCCBDB for C₄H₂O₃ (Maleic Anhydride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		167
	Energy 298.15K		6
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		167
	HOMO-LUMO Energies		161
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	161
	Internal Coordinates	x	161	x
	Products of moments of inertia	x	124	x
	Rotational Constants	x	128	x
	Point Group		167
Vibrations	Vibrational Frequencies		159
	Vibrational Intensities		159
	Zero-point energies		159
	Vibrational scaling factors
	Anharmonic frequencies and constants
Electronic States	Electronic states		0
Electrostatics	Atom charges		117
	Dipole		117
	Quadrupole		117
	Polarizability		117
Other results	Spin		0
	Number of basis functions		25
	Diagnostics		0
	Conformations		1