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 C₃H₄O₂ (2-Propenoic acid)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		237
	Energy 298.15K		227
	Atomization Enthalpy 298.15K	x	173	x
	Atomization Enthalpy 0K	x	178	x
	Entropy (298.15K)	x	164	x
	Entropy at any temperature		164
	Integrated Heat Capacity	x	164	x
	Heat Capacity (Cp)	x	164	x
	Nuclear Repulsion Energy		215
	HOMO-LUMO Energies		213
	Barriers to Internal Rotation		0
Geometries	Cartesians		192
	Internal Coordinates		191
	Products of moments of inertia		208
	Rotational Constants		212
	Point Group		212
Vibrations	Vibrational Frequencies		209
	Vibrational Intensities		220
	Zero-point energies		209
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		180
	Dipole		187
	Quadrupole		179
	Polarizability		167
Other results	Spin		0
	Number of basis functions		3
	Conformations		1