Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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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		324
	Energy 298.15K		301
	Atomization Enthalpy 298.15K	x	23	x
	Atomization Enthalpy 0K	x	22	x
	Entropy (298.15K)	x	14	x
	Entropy at any temperature		14
	Integrated Heat Capacity	x	14	x
	Heat Capacity (Cp)	x	14	x
	Nuclear Repulsion Energy		313
	HOMO-LUMO Energies		310
	Barriers to Internal Rotation		0
Geometries	Cartesians		298
	Internal Coordinates		297
	Products of moments of inertia	x	294	x
	Rotational Constants	x	300	x
	Point Group		317
Vibrations	Vibrational Frequencies	fun.	305	x
	Vibrational Intensities		434
	Zero-point energies		305
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		220
	Dipole	x	222	x
	Quadrupole		216
	Polarizability		251
Other results	Spin		0
	Number of basis functions		22
	Conformations		1