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 C₃H₇NO (Propanamide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		220
	Energy 298.15K		194
	Atomization Enthalpy 298.15K	x	157	x
	Atomization Enthalpy 0K		166
	Entropy (298.15K)		152
	Entropy at any temperature		152
	Integrated Heat Capacity		152
	Heat Capacity (Cp)		152
	Nuclear Repulsion Energy		203
	HOMO-LUMO Energies		196
	Barriers to Internal Rotation		350
Geometries	Cartesians		187
	Internal Coordinates		0
	Products of moments of inertia		194
	Rotational Constants		198
	Point Group		202
Vibrations	Vibrational Frequencies		195
	Vibrational Intensities		209
	Zero-point energies		195
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		170
	Dipole		176
	Quadrupole		168
	Polarizability		156
Other results	Spin		0
	Number of basis functions		6
	Conformations		1