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 Li₃ (Lithium trimer)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		466
	Energy 298.15K		447
	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		465
	HOMO-LUMO Energies		397
	Barriers to Internal Rotation		0
Geometries	Cartesians		463
	Internal Coordinates		463
	Products of moments of inertia		455
	Rotational Constants		463
	Point Group		469
Vibrations	Vibrational Frequencies	fun.	455	x
	Vibrational Intensities		390
	Zero-point energies		455
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		29
	Dipole		356
	Quadrupole		300
	Polarizability		315
Other results	Spin		467
	Number of basis functions		62
	Conformations		1