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 (allenol)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		262
	Energy 298.15K		244
	Atomization Enthalpy 298.15K		174
	Atomization Enthalpy 0K		178
	Entropy (298.15K)		163
	Entropy at any temperature		163
	Integrated Heat Capacity		163
	Heat Capacity (Cp)		163
	Nuclear Repulsion Energy		234
	HOMO-LUMO Energies		235
	Barriers to Internal Rotation		350
Geometries	Cartesians		225
	Internal Coordinates		224
	Products of moments of inertia		230
	Rotational Constants		235
	Point Group		238
Vibrations	Vibrational Frequencies		222
	Vibrational Intensities		235
	Zero-point energies		222
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		222
	Dipole		159
	Quadrupole		219
	Polarizability		162
Other results	Spin		0
	Number of basis functions		8
	Conformations		1