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 LiH⁺ (lithium hydride cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		572
	Energy 298.15K		531
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		1
	Entropy at any temperature		1
	Integrated Heat Capacity		1
	Heat Capacity (Cp)		1
	Nuclear Repulsion Energy		554
	HOMO-LUMO Energies		484
	Barriers to Internal Rotation		0
Geometries	Cartesians		551
	Internal Coordinates		551
	Products of moments of inertia		544
	Rotational Constants		553
	Point Group		568
Vibrations	Vibrational Frequencies		554
	Vibrational Intensities		714
	Zero-point energies		554
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		341
	Dipole		394
	Quadrupole		324
	Polarizability		351
Other results	Spin		565
	Number of basis functions		101
	Conformations		1