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 CaOH (Calcium monohydroxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		191
	Energy 298.15K		177
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity	x	0	x
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		190
	HOMO-LUMO Energies		192
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	192
	Internal Coordinates	x	192	x
	Products of moments of inertia		185
	Rotational Constants		190
	Point Group		195
Vibrations	Vibrational Frequencies	fun.	189	x
	Vibrational Intensities		173
	Zero-point energies	x	189	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		105
	Dipole		107
	Quadrupole		103
	Polarizability		111
Other results	Spin		192
	Number of basis functions		0
	Conformations		1