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 SeO₃ (selenium trioxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		374
	Energy 298.15K		347
	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		369
	HOMO-LUMO Energies		375
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	375
	Internal Coordinates	x	373	x
	Products of moments of inertia		367
	Rotational Constants	x	375	x
	Point Group		377
Vibrations	Vibrational Frequencies		359
	Vibrational Intensities		346
	Zero-point energies		359
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		10
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		247
	Dipole		70
	Quadrupole		280
	Polarizability		285
Other results	Spin		0
	Number of basis functions		26
	Conformations		2	x