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 C₄H₆O₂ (2-Propenoic acid, methyl ester)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		208
	Energy 298.15K		201
	Atomization Enthalpy 298.15K	x	149	x
	Atomization Enthalpy 0K		148
	Entropy (298.15K)		140
	Entropy at any temperature		140
	Integrated Heat Capacity		140
	Heat Capacity (Cp)		140
	Nuclear Repulsion Energy		196
	HOMO-LUMO Energies		191
	Barriers to Internal Rotation		0
Geometries	Cartesians		174
	Internal Coordinates		0
	Products of moments of inertia		193
	Rotational Constants		197
	Point Group		197
Vibrations	Vibrational Frequencies		193
	Vibrational Intensities		206
	Zero-point energies		193
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		169
	Dipole		174
	Quadrupole		168
	Polarizability		159
Other results	Spin		0
	Number of basis functions		5
	Conformations		1