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 C₅H₆O (3-Methylfuran)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		306
	Energy 298.15K		276
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		305
	HOMO-LUMO Energies		297
	Barriers to Internal Rotation		0
Geometries	Cartesians		297
	Internal Coordinates		296
	Products of moments of inertia		281
	Rotational Constants		289
	Point Group		309
Vibrations	Vibrational Frequencies		286
	Vibrational Intensities		283
	Zero-point energies		286
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		204
	Dipole		265
	Quadrupole		235
	Polarizability		238
Other results	Spin		0
	Number of basis functions		27
	Conformations		1