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

All data (experiment and calculated) in the CCCBDB for MgS- (magnesium sulfide anion)

INChI
InChI=1S/Mg.S/q;-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   233  
Energy 298.15K   8  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   226  
HOMO-LUMO Energies HOMO energies   226  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  226  
Internal Coordinates bond lengths bond angles  226 
Products of moments of inertia moments of inertia  221 
Rotational Constants rotational constants  226 
Point Group  227 
Vibrations Vibrational Frequencies vibrations  226 
Vibrational Intensities  212 
Zero-point energies  226 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   130  
Dipole dipole  135 
Quadrupole quadrupole  135 
Polarizability polarizability  136 
Other results Spin   214  
Number of basis functions   33  
Diagnostics   1  
Conformations   1