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 C₄H₈O₂ (Ethyl acetate)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		535
	Energy 298.15K		10
	Atomization Enthalpy 298.15K	x	0	x
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		536
	HOMO-LUMO Energies		507
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	532
	Internal Coordinates	x	532	x
	Products of moments of inertia		524
	Rotational Constants		532
	Point Group		538
Vibrations	Vibrational Frequencies	fun.	510	x
	Vibrational Intensities		493
	Zero-point energies		510
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		416
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		360
	Dipole	x	475	x
	Quadrupole		387
	Polarizability	x	423	x
Other results	Spin		0
	Number of basis functions		35
	Conformations		2	x