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 (1,3-Cyclohexadiene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		11
	Energy 298.15K		5
	Atomization Enthalpy 298.15K	x	0	x
	Atomization Enthalpy 0K	x	0	x
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity	x	0	x
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		12
	HOMO-LUMO Energies		12
	Barriers to Internal Rotation		0
Geometries	Cartesians		12
	Internal Coordinates	x	11	x
	Products of moments of inertia	x	11	x
	Rotational Constants	x	12	x
	Point Group		13
Vibrations	Vibrational Frequencies		11
	Vibrational Intensities		11
	Zero-point energies		11
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		11
	Dipole	x	11	x
	Quadrupole	x	10	x
	Polarizability		11
Other results	Spin		0
	Number of basis functions		0
	Conformations		2	x