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 (Methylketene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		129
	Energy 298.15K		120
	Atomization Enthalpy 298.15K	x	59	x
	Atomization Enthalpy 0K	x	59	x
	Entropy (298.15K)	x	35	x
	Entropy at any temperature		35
	Integrated Heat Capacity	x	35	x
	Heat Capacity (Cp)	x	35	x
	Nuclear Repulsion Energy		100
	HOMO-LUMO Energies		104
	Barriers to Internal Rotation	x	325	x
Geometries	Cartesians		102
	Internal Coordinates	x	101	x
	Products of moments of inertia	x	101	x
	Rotational Constants	x	104	x
	Point Group		105
Vibrations	Vibrational Frequencies		101
	Vibrational Intensities		108
	Zero-point energies		101
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		85
	Dipole	x	94	x
	Quadrupole		88
	Polarizability		94
Other results	Spin		0
	Number of basis functions		4
	Conformations		1