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 C₈H₈ (cyclooctatetraene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		216
	Energy 298.15K		206
	Atomization Enthalpy 298.15K	x	149	x
	Atomization Enthalpy 0K		148
	Entropy (298.15K)	x	141	x
	Entropy at any temperature		141
	Integrated Heat Capacity		141
	Heat Capacity (Cp)	x	141	x
	Nuclear Repulsion Energy		196
	HOMO-LUMO Energies		197
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	183
	Internal Coordinates	x	182	x
	Products of moments of inertia		205
	Rotational Constants	x	209	x
	Point Group		210
Vibrations	Vibrational Frequencies		207
	Vibrational Intensities		214
	Zero-point energies		207
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		168
	Dipole		170
	Quadrupole		156
	Polarizability		173
Other results	Spin		0
	Number of basis functions		7
	Conformations		1