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 H₂Se (Hydrogen selenide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		744
	Energy 298.15K		596
	Atomization Enthalpy 298.15K	x	11	x
	Atomization Enthalpy 0K		12
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		728
	HOMO-LUMO Energies		609
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	720
	Internal Coordinates	x	720	x
	Products of moments of inertia	x	713	x
	Rotational Constants	x	721	x
	Point Group		729
Vibrations	Vibrational Frequencies	fun.	716	x
	Vibrational Intensities		806
	Zero-point energies	x	716	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		91
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		412
	Dipole	x	546	x
	Quadrupole		452
	Polarizability	x	438	x
Other results	Spin		8
	Number of basis functions		65
	Conformations		1