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 CaH⁺ (Calcium monohydride cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		312
	Energy 298.15K		299
	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		310
	HOMO-LUMO Energies		276
	Barriers to Internal Rotation		0
Geometries	Cartesians		310
	Internal Coordinates		309
	Products of moments of inertia		292
	Rotational Constants		300
	Point Group		315
Vibrations	Vibrational Frequencies		298
	Vibrational Intensities		274
	Zero-point energies		298
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		188
	Dipole		238
	Quadrupole		214
	Polarizability		222
Other results	Spin		0
	Number of basis functions		51
	Conformations		1