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

All data (experiment and calculated) in the CCCBDB for C₅H₁₀ (2-Pentene, (E)-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		185
	Energy 298.15K		172
	Atomization Enthalpy 298.15K	x	169	x
	Atomization Enthalpy 0K	x	173	x
	Entropy (298.15K)	x	164	x
	Entropy at any temperature		164
	Integrated Heat Capacity	x	163	x
	Heat Capacity (Cp)	x	163	x
	Nuclear Repulsion Energy		177
	HOMO-LUMO Energies		171
	Barriers to Internal Rotation		0
Geometries	Cartesians		152
	Internal Coordinates	x	152	x
	Products of moments of inertia		167
	Rotational Constants		171
	Point Group		171
Vibrations	Vibrational Frequencies		173
	Vibrational Intensities		172
	Zero-point energies		173
	Vibrational scaling factors
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		149
	Dipole		151
	Quadrupole		148
	Polarizability		130
Other results	Spin		0
	Number of basis functions		23
	Diagnostics		4
	Conformations		1