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 C₄H₆O (Cyclobutanone)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		244
	Energy 298.15K		218
	Atomization Enthalpy 298.15K	x	174	x
	Atomization Enthalpy 0K		175
	Entropy (298.15K)		166
	Entropy at any temperature		166
	Integrated Heat Capacity		166
	Heat Capacity (Cp)	x	166	x
	Nuclear Repulsion Energy		228
	HOMO-LUMO Energies		236
	Barriers to Internal Rotation		0
Geometries	Cartesians		204
	Internal Coordinates	x	203	x
	Products of moments of inertia	x	224	x
	Rotational Constants	x	229	x
	Point Group		238
Vibrations	Vibrational Frequencies	fun.	211	x
	Vibrational Intensities		224
	Zero-point energies	x	211	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		181
	Dipole	x	191	x
	Quadrupole	x	201	x
	Polarizability		154
Other results	Spin		0
	Number of basis functions		5
	Conformations		1