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 HCOOC₂H₅ (Ethyl formate)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		499
	Energy 298.15K		426
	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		500
	HOMO-LUMO Energies		462
	Barriers to Internal Rotation		123
Geometries	Cartesians		494
	Internal Coordinates		494
	Products of moments of inertia	x	486	x
	Rotational Constants	x	494	x
	Point Group		502
Vibrations	Vibrational Frequencies		454
	Vibrational Intensities		441
	Zero-point energies		454
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		31
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		301
	Dipole	x	413	x
	Quadrupole		336
	Polarizability	x	357	x
Other results	Spin		0
	Number of basis functions		31
	Conformations		2	x