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 CH₃C(OH)=NH (Ethaninidic acid)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		589
	Energy 298.15K		535
	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		590
	HOMO-LUMO Energies		521
	Barriers to Internal Rotation		0
Geometries	Cartesians		584
	Internal Coordinates		584
	Products of moments of inertia		576
	Rotational Constants		584
	Point Group		591
Vibrations	Vibrational Frequencies		564
	Vibrational Intensities		520
	Zero-point energies		564
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		332
	Dipole		468
	Quadrupole		379
	Polarizability		394
Other results	Spin		0
	Number of basis functions		33
	Conformations		1