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-1,3,5-triene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		217
	Energy 298.15K		214
	Atomization Enthalpy 298.15K	x	154	x
	Atomization Enthalpy 0K		153
	Entropy (298.15K)		148
	Entropy at any temperature		148
	Integrated Heat Capacity		148
	Heat Capacity (Cp)	x	148	x
	Nuclear Repulsion Energy		205
	HOMO-LUMO Energies		202
	Barriers to Internal Rotation		0
Geometries	Cartesians		180
	Internal Coordinates		179
	Products of moments of inertia		202
	Rotational Constants		207
	Point Group		207
Vibrations	Vibrational Frequencies	fun.	203	x
	Vibrational Intensities		212
	Zero-point energies		203
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		175
	Dipole		180
	Quadrupole		173
	Polarizability		164
Other results	Spin		0
	Number of basis functions		5
	Conformations		1