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 CH₃CO^- (Acetyl anion)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		61
	Energy 298.15K		51
	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		58
	HOMO-LUMO Energies		61
	Barriers to Internal Rotation		0
Geometries	Cartesians		61
	Internal Coordinates		60
	Products of moments of inertia		57
	Rotational Constants		61
	Point Group		62
Vibrations	Vibrational Frequencies		58
	Vibrational Intensities		58
	Zero-point energies		58
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		28
	Dipole		50
	Quadrupole		45
	Polarizability		54
Other results	Spin		9
	Number of basis functions		65
	Conformations		1