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 CH₂CO (Ketene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		709
	Energy 298.15K		687
	Atomization Enthalpy 298.15K	x	82	x
	Atomization Enthalpy 0K	x	82	x
	Entropy (298.15K)	x	48	x
	Entropy at any temperature		48
	Integrated Heat Capacity	x	48	x
	Heat Capacity (Cp)	x	48	x
	Nuclear Repulsion Energy		668
	HOMO-LUMO Energies		594
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	637
	Internal Coordinates	x	637	x
	Products of moments of inertia	x	639	x
	Rotational Constants	x	648	x
	Point Group		649
Vibrations	Vibrational Frequencies	fun.	646	x
	Vibrational Intensities		809
	Zero-point energies	x	646	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		420
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		387
	Dipole	x	516	x
	Quadrupole	x	423	x
	Polarizability	x	433	x
Other results	Spin		0
	Number of basis functions		65
	Conformations		1