I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for MgH⁺ (magnesium monohydride cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		248
	Energy 298.15K		10
	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		243
	HOMO-LUMO Energies		244
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	228
	Internal Coordinates	x	228	x
	Products of moments of inertia	x	237	x
	Rotational Constants	x	244	x
	Point Group		244
Vibrations	Vibrational Frequencies	x	244	x
	Vibrational Intensities		228
	Zero-point energies	x	244	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		139
	Dipole		144
	Quadrupole		144
	Polarizability		145
Other results	Spin		0
	Number of basis functions		32
	Diagnostics		1
	Conformations		1