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

All data (experiment and calculated) in the CCCBDB for MgF+ (magnesium fluoride cation)

INChI
InChI=1S/FH.Mg/h1H;/q;+2/p-1

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Energies
Entropies
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   257  
Energy 298.15K   11  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   252  
HOMO-LUMO Energies HOMO energies   252  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  238  
Internal Coordinates bond lengths bond angles  238 
Products of moments of inertia moments of inertia  243 
Rotational Constants rotational constants  251 
Point Group  253 
Vibrations Vibrational Frequencies vibrations  251 
Vibrational Intensities  235 
Zero-point energies  251 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   135  
Dipole dipole  147 
Quadrupole quadrupole  145 
Polarizability polarizability  149 
Other results Spin   1  
Number of basis functions   5  
Diagnostics   1  
Conformations   1