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 CH₃CH₂COOH (Propanoic Acid)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		355
	Energy 298.15K		295
	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		354
	HOMO-LUMO Energies		339
	Barriers to Internal Rotation		0
Geometries	Cartesians		353
	Internal Coordinates		352
	Products of moments of inertia		345
	Rotational Constants		353
	Point Group		358
Vibrations	Vibrational Frequencies		341
	Vibrational Intensities		337
	Zero-point energies		341
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		235
	Dipole	x	314	x
	Quadrupole		271
	Polarizability	x	285	x
Other results	Spin		0
	Number of basis functions		28
	Conformations		1