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)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		347
	Energy 298.15K		340
	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		357
	HOMO-LUMO Energies		304
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	359
	Internal Coordinates	x	358	x
	Products of moments of inertia	x	349	x
	Rotational Constants	x	357	x
	Point Group		362
Vibrations	Vibrational Frequencies	har.	357	x
	Vibrational Intensities		456
	Zero-point energies	x	357	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		219
	Dipole		261
	Quadrupole		232
	Polarizability		199
Other results	Spin		360
	Number of basis functions		51
	Conformations		1