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 H₃⁺ (hydrogen trimer cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		252
	Energy 298.15K		186
	Atomization Enthalpy 298.15K		138
	Atomization Enthalpy 0K		138
	Entropy (298.15K)		165
	Entropy at any temperature		165
	Integrated Heat Capacity		165
	Heat Capacity (Cp)		165
	Nuclear Repulsion Energy		238
	HOMO-LUMO Energies		240
	Barriers to Internal Rotation		0
Geometries	Cartesians		232
	Internal Coordinates		231
	Products of moments of inertia		238
	Rotational Constants		241
	Point Group		242
Vibrations	Vibrational Frequencies	fun.	234	x
	Vibrational Intensities		227
	Zero-point energies	x	234	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		135
	Dipole		156
	Quadrupole		151
	Polarizability		88
Other results	Spin		0
	Number of basis functions		9
	Conformations		1