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 C₃H₄O (Cyclopropanone)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		305
	Energy 298.15K		279
	Atomization Enthalpy 298.15K	x	45	x
	Atomization Enthalpy 0K		45
	Entropy (298.15K)	x	21	x
	Entropy at any temperature		21
	Integrated Heat Capacity	x	21	x
	Heat Capacity (Cp)	x	21	x
	Nuclear Repulsion Energy		275
	HOMO-LUMO Energies		262
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	247
	Internal Coordinates	x	246	x
	Products of moments of inertia	x	250	x
	Rotational Constants	x	260	x
	Point Group		279
Vibrations	Vibrational Frequencies		256
	Vibrational Intensities		419
	Zero-point energies		256
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		192
	Dipole	x	235	x
	Quadrupole		217
	Polarizability		223
Other results	Spin		0
	Number of basis functions		26
	Conformations		1