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 C₂₄H₁₂ (Coronene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		287
	Energy 298.15K		123
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		177
	HOMO-LUMO Energies		160
	Barriers to Internal Rotation		0
Geometries	Cartesians		161
	Internal Coordinates		160
	Products of moments of inertia		157
	Rotational Constants		161
	Point Group		181
Vibrations	Vibrational Frequencies		134
	Vibrational Intensities		136
	Zero-point energies		134
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		142
	Dipole		39
	Quadrupole		152
	Polarizability	x	225	x
Other results	Spin		0
	Number of basis functions		26
	Conformations		1