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 C₅H₁₂O (Propane, 1-ethoxy-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		221
	Energy 298.15K		211
	Atomization Enthalpy 298.15K	x	157	x
	Atomization Enthalpy 0K		157
	Entropy (298.15K)		149
	Entropy at any temperature		149
	Integrated Heat Capacity		149
	Heat Capacity (Cp)		149
	Nuclear Repulsion Energy		205
	HOMO-LUMO Energies		196
	Barriers to Internal Rotation		0
Geometries	Cartesians		176
	Internal Coordinates		175
	Products of moments of inertia		200
	Rotational Constants		205
	Point Group		207
Vibrations	Vibrational Frequencies		201
	Vibrational Intensities		211
	Zero-point energies		201
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		178
	Dipole		184
	Quadrupole		175
	Polarizability	x	168	x
Other results	Spin		0
	Number of basis functions		5
	Conformations		1