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 C₁₀H₁₀ (bullvalene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		430
	Energy 298.15K		10
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		430
	HOMO-LUMO Energies		424
	Barriers to Internal Rotation		0
Geometries	Cartesians		430
	Internal Coordinates	x	0	x
	Products of moments of inertia		423
	Rotational Constants	x	430	x
	Point Group		431
Vibrations	Vibrational Frequencies	fun.	403	x
	Vibrational Intensities		403
	Zero-point energies		403
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		351
Electronic States	Electronic states		0
Electrostatics	Atom charges		295
	Dipole		406
	Quadrupole		330
	Polarizability		348
Other results	Spin		0
	Number of basis functions		31
	Conformations		1