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

All data (experiment and calculated) in the CCCBDB for C₃H₄O (Methylketene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		77
	Energy 298.15K		63
	Atomization Enthalpy 298.15K	x	61	x
	Atomization Enthalpy 0K	x	63	x
	Entropy (298.15K)	x	37	x
	Entropy at any temperature		37
	Integrated Heat Capacity	x	37	x
	Heat Capacity (Cp)	x	37	x
	Nuclear Repulsion Energy		50
	HOMO-LUMO Energies		51
	Barriers to Internal Rotation	x	13	x
Geometries	Cartesians		50
	Internal Coordinates	x	50	x
	Products of moments of inertia	x	50	x
	Rotational Constants	x	51	x
	Point Group		52
Vibrations	Vibrational Frequencies		51
	Vibrational Intensities		51
	Zero-point energies		51
	Vibrational scaling factors
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		48
	Dipole	x	48	x
	Quadrupole		48
	Polarizability		49
Other results	Spin		0
	Number of basis functions		5
	Diagnostics		2
	Conformations		1