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 C₂H₅NO₃ (Nitric acid, ethyl ester)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		352
	Energy 298.15K		334
	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		353
	HOMO-LUMO Energies		323
	Barriers to Internal Rotation	x	275	x
Geometries	Cartesians		349
	Internal Coordinates	x	349	x
	Products of moments of inertia	x	341	x
	Rotational Constants	x	349	x
	Point Group		354
Vibrations	Vibrational Frequencies	fun.	345	x
	Vibrational Intensities		322
	Zero-point energies	x	345	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		215
	Dipole	x	295	x
	Quadrupole		247
	Polarizability		261
Other results	Spin		0
	Number of basis functions		27
	Conformations		1