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 HI (Hydrogen iodide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		154
	Energy 298.15K		22
	Atomization Enthalpy 298.15K	x	13	x
	Atomization Enthalpy 0K	x	13	x
	Entropy (298.15K)	x	16	x
	Entropy at any temperature		16
	Integrated Heat Capacity	x	16	x
	Heat Capacity (Cp)	x	16	x
	Nuclear Repulsion Energy		156
	HOMO-LUMO Energies		135
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	157
	Internal Coordinates	x	157	x
	Products of moments of inertia	x	156	x
	Rotational Constants	x	157	x
	Point Group		160
Vibrations	Vibrational Frequencies	fun. har.	156	x
	Vibrational Intensities		190
	Zero-point energies	x	156	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		6
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		83
	Dipole	x	105	x
	Quadrupole		89
	Polarizability	x	87	x
Other results	Spin		0
	Number of basis functions		9
	Conformations		1