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

All data (experiment and calculated) in the CCCBDB for C₅H₈ (1,3-Pentadiene, (Z)-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		158
	Energy 298.15K		152
	Atomization Enthalpy 298.15K	x	143	x
	Atomization Enthalpy 0K	x	145	x
	Entropy (298.15K)	x	143	x
	Entropy at any temperature		143
	Integrated Heat Capacity	x	143	x
	Heat Capacity (Cp)	x	143	x
	Nuclear Repulsion Energy		151
	HOMO-LUMO Energies		148
	Barriers to Internal Rotation		0
Geometries	Cartesians		132
	Internal Coordinates		132
	Products of moments of inertia	x	30	x
	Rotational Constants	x	32	x
	Point Group		151
Vibrations	Vibrational Frequencies	x	145	x
	Vibrational Intensities		144
	Zero-point energies		145
	Vibrational scaling factors
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		147
	Dipole	x	90	x
	Quadrupole		91
	Polarizability		90
Other results	Spin		0
	Number of basis functions		23
	Diagnostics		4
	Conformations		1