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 CH₃CONH₂ (Acetamide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		293
	Energy 298.15K		265
	Atomization Enthalpy 298.15K	x	201	x
	Atomization Enthalpy 0K	x	204	x
	Entropy (298.15K)	x	174	x
	Entropy at any temperature		174
	Integrated Heat Capacity	x	174	x
	Heat Capacity (Cp)		174
	Nuclear Repulsion Energy		253
	HOMO-LUMO Energies		243
	Barriers to Internal Rotation	x	525	x
Geometries	Cartesians	x	228
	Internal Coordinates	x	227	x
	Products of moments of inertia	x	238	x
	Rotational Constants	x	243	x
	Point Group		247
Vibrations	Vibrational Frequencies	fun.	234	x
	Vibrational Intensities		251
	Zero-point energies		234
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		195
	Dipole	x	216	x
	Quadrupole		202
	Polarizability	x	184	x
Other results	Spin		0
	Number of basis functions		0
	Conformations		1