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 C₃H₃NO (Oxazole)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		403
	Energy 298.15K		390
	Atomization Enthalpy 298.15K	x	0	x
	Atomization Enthalpy 0K	x	0	x
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity	x	0	x
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		407
	HOMO-LUMO Energies		376
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	408
	Internal Coordinates	x	408	x
	Products of moments of inertia	x	399	x
	Rotational Constants	x	407	x
	Point Group		411
Vibrations	Vibrational Frequencies	fun.	403	x
	Vibrational Intensities		375
	Zero-point energies	x	403	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		259
	Dipole	x	339	x
	Quadrupole		283
	Polarizability		311
Other results	Spin		0
	Number of basis functions		29
	Conformations		1