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 C₃H₂O (Propadienal)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		1238
	Energy 298.15K		19
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		1240
	HOMO-LUMO Energies		1083
	Barriers to Internal Rotation		0
Geometries	Cartesians		1230
	Internal Coordinates		1230
	Products of moments of inertia	x	1215	x
	Rotational Constants	x	1230	x
	Point Group		1242
Vibrations	Vibrational Frequencies	fun.	1201	x
	Vibrational Intensities		1062
	Zero-point energies		1201
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		835
Electronic States	Electronic states		0
Electrostatics	Atom charges		686
	Dipole		943
	Quadrupole		795
	Polarizability		817
Other results	Spin		0
	Number of basis functions		69
	Conformations		2	x