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 NeH (neon hydrogen)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		443
	Energy 298.15K		386
	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		439
	HOMO-LUMO Energies		338
	Barriers to Internal Rotation		0
Geometries	Cartesians		417
	Internal Coordinates		417
	Products of moments of inertia		388
	Rotational Constants		394
	Point Group		443
Vibrations	Vibrational Frequencies		392
	Vibrational Intensities		347
	Zero-point energies		392
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		256
	Dipole		317
	Quadrupole		276
	Polarizability		278
Other results	Spin		442
	Number of basis functions		34
	Conformations		1