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 C₆H₈ ((Z)-hexa-1,3,5-triene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		218
	Energy 298.15K		208
	Atomization Enthalpy 298.15K	x	153	x
	Atomization Enthalpy 0K		152
	Entropy (298.15K)		147
	Entropy at any temperature		147
	Integrated Heat Capacity		147
	Heat Capacity (Cp)	x	147	x
	Nuclear Repulsion Energy		208
	HOMO-LUMO Energies		204
	Barriers to Internal Rotation		0
Geometries	Cartesians		185
	Internal Coordinates	x	184	x
	Products of moments of inertia		203
	Rotational Constants		207
	Point Group		209
Vibrations	Vibrational Frequencies	fun.	204	x
	Vibrational Intensities		212
	Zero-point energies	x	204	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		179
	Dipole		182
	Quadrupole		174
	Polarizability		168
Other results	Spin		0
	Number of basis functions		5
	Conformations		1