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 (cubane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		454
	Energy 298.15K		437
	Atomization Enthalpy 298.15K	x	44	x
	Atomization Enthalpy 0K		45
	Entropy (298.15K)		3
	Entropy at any temperature		3
	Integrated Heat Capacity		3
	Heat Capacity (Cp)		3
	Nuclear Repulsion Energy		467
	HOMO-LUMO Energies		465
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	458
	Internal Coordinates	x	458	x
	Products of moments of inertia	x	461	x
	Rotational Constants	x	466	x
	Point Group		469
Vibrations	Vibrational Frequencies	fun.	455	x
	Vibrational Intensities		638
	Zero-point energies	x	455	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		406
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		356
	Dipole	x	404	x
	Quadrupole		380
	Polarizability		403
Other results	Spin		0
	Number of basis functions		33
	Conformations		1