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 H₂O₃ (Hydrogen trioxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		362
	Energy 298.15K		79
	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)		0
	Nuclear Repulsion Energy		361
	HOMO-LUMO Energies		364
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	364
	Internal Coordinates	x	363	x
	Products of moments of inertia	x	354	x
	Rotational Constants	x	362	x
	Point Group		365
Vibrations	Vibrational Frequencies	fun.	76	x
	Vibrational Intensities		70
	Zero-point energies	x	76	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		225
	Dipole		292
	Quadrupole		259
	Polarizability		264
Other results	Spin		0
	Number of basis functions		29
	Conformations		1