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

All data (experiment and calculated) in the CCCBDB for MgCl (magnesium monochloride)

Other names
Magnesium chloride;
INChI
InChI=1/ClH.Mg/h1H;/q;+1/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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   246  
Energy 298.15K   214  
Atomization Enthalpy 298.15K x207x
Atomization Enthalpy 0K x215x
Entropy (298.15K) entropy x194x
Entropy at any temperature   194  
Integrated Heat Capacity integrated heat capacity x194x
Heat Capacity (Cp) Heat capacity x194x
Nuclear Repulsion Energy   215  
HOMO-LUMO Energies HOMO energies   188  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x199  
Internal Coordinates bond lengths bond angles x199x
Products of moments of inertia moments of inertia x206x
Rotational Constants rotational constants x211x
Point Group  218 
Vibrations Vibrational Frequencies vibrations x210x
Vibrational Intensities  194 
Zero-point energies x210x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   148  
Dipole dipole  143 
Quadrupole quadrupole  144 
Polarizability polarizability  130 
Other results Spin   146  
Number of basis functions   5  
Diagnostics   5  
Conformations   1