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 ((E)-hexa-2,3,4-triene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		437
	Energy 298.15K		394
	Atomization Enthalpy 298.15K	x	13	x
	Atomization Enthalpy 0K		13
	Entropy (298.15K)		4
	Entropy at any temperature		4
	Integrated Heat Capacity		4
	Heat Capacity (Cp)		4
	Nuclear Repulsion Energy		429
	HOMO-LUMO Energies		385
	Barriers to Internal Rotation		0
Geometries	Cartesians		70
	Internal Coordinates		29
	Products of moments of inertia		418
	Rotational Constants		426
	Point Group		430
Vibrations	Vibrational Frequencies		407
	Vibrational Intensities		638
	Zero-point energies		407
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		278
	Dipole		354
	Quadrupole		297
	Polarizability		311
Other results	Spin		0
	Number of basis functions		29
	Conformations		1