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

All data (experiment and calculated) in the CCCBDB for C₂H₃ (vinyl)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		302
	Energy 298.15K		268
	Atomization Enthalpy 298.15K	x	261	x
	Atomization Enthalpy 0K		268
	Entropy (298.15K)	x	225	x
	Entropy at any temperature		225
	Integrated Heat Capacity	x	225	x
	Heat Capacity (Cp)		225
	Nuclear Repulsion Energy		250
	HOMO-LUMO Energies		242
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	211
	Internal Coordinates	x	211	x
	Products of moments of inertia	x	227	x
	Rotational Constants	x	231	x
	Point Group		234
Vibrations	Vibrational Frequencies	x	231	x
	Vibrational Intensities		207
	Zero-point energies		231
	Vibrational scaling factors
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		185
	Dipole		173
	Quadrupole		170
	Polarizability		146
Other results	Spin		185
	Number of basis functions		32
	Diagnostics		6
	Conformations		1