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 C₂H₄O₃ (trioxolane124)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		217
	Energy 298.15K		211
	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		214
	HOMO-LUMO Energies		56
	Barriers to Internal Rotation		0
Geometries	Cartesians		217
	Internal Coordinates		216
	Products of moments of inertia		209
	Rotational Constants		216
	Point Group		218
Vibrations	Vibrational Frequencies	fun.	213	x
	Vibrational Intensities		215
	Zero-point energies		213
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		138
	Dipole		141
	Quadrupole		136
	Polarizability		172
Other results	Spin		0
	Number of basis functions		27
	Conformations		1