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 CH₃OCHO (methyl formate)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		294
	Energy 298.15K		279
	Atomization Enthalpy 298.15K	x	194	x
	Atomization Enthalpy 0K		194
	Entropy (298.15K)	x	168	x
	Entropy at any temperature		168
	Integrated Heat Capacity		168
	Heat Capacity (Cp)	x	168	x
	Nuclear Repulsion Energy		252
	HOMO-LUMO Energies		251
	Barriers to Internal Rotation		623
Geometries	Cartesians	x	226
	Internal Coordinates	x	226	x
	Products of moments of inertia	x	245	x
	Rotational Constants	x	249	x
	Point Group		249
Vibrations	Vibrational Frequencies	fun.	242	x
	Vibrational Intensities		268
	Zero-point energies	x	242	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		196
	Dipole	x	219	x
	Quadrupole	x	200	x
	Polarizability	x	185	x
Other results	Spin		0
	Number of basis functions		7
	Conformations		1