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 C₅H₈O (Methyl cyclopropyl ketone)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		389
	Energy 298.15K		365
	Atomization Enthalpy 298.15K	x	0	x
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		387
	HOMO-LUMO Energies		358
	Barriers to Internal Rotation		0
Geometries	Cartesians		385
	Internal Coordinates	x	385	x
	Products of moments of inertia		377
	Rotational Constants		385
	Point Group		391
Vibrations	Vibrational Frequencies	fun.	375	x
	Vibrational Intensities		355
	Zero-point energies	x	375	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		245
	Dipole	x	320	x
	Quadrupole		268
	Polarizability		294
Other results	Spin		0
	Number of basis functions		28
	Conformations		1