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

All data (experiment and calculated) in the CCCBDB for C₃O₂ (Carbon suboxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		216
	Energy 298.15K		198
	Atomization Enthalpy 298.15K	x	194	x
	Atomization Enthalpy 0K	x	200	x
	Entropy (298.15K)	x	181	x
	Entropy at any temperature		181
	Integrated Heat Capacity	x	181	x
	Heat Capacity (Cp)	x	180	x
	Nuclear Repulsion Energy		188
	HOMO-LUMO Energies		178
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	163
	Internal Coordinates	x	163	x
	Products of moments of inertia	x	176	x
	Rotational Constants	x	180	x
	Point Group		189
Vibrations	Vibrational Frequencies	x	183	x
	Vibrational Intensities		178
	Zero-point energies	x	183	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		152
	Dipole	x	153	x
	Quadrupole		150
	Polarizability		131
Other results	Spin		11
	Number of basis functions		32
	Diagnostics		4
	Conformations		2	x