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 C₄H₇NO (Ethoxyacetonitrile)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		327
	Energy 298.15K		313
	Atomization Enthalpy 298.15K	x	0	x
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		325
	HOMO-LUMO Energies		326
	Barriers to Internal Rotation		0
Geometries	Cartesians		326
	Internal Coordinates		325
	Products of moments of inertia		314
	Rotational Constants		322
	Point Group		329
Vibrations	Vibrational Frequencies		319
	Vibrational Intensities		315
	Zero-point energies		319
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		36
	Dipole		282
	Quadrupole		253
	Polarizability		230
Other results	Spin		0
	Number of basis functions		2
	Conformations		1