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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   243  
Energy 298.15K   9  
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   236  
HOMO-LUMO Energies HOMO energies   236  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  236  
Internal Coordinates bond lengths bond angles  236 
Products of moments of inertia moments of inertia  229 
Rotational Constants rotational constants  235 
Point Group  237 
Vibrations Vibrational Frequencies vibrations  235 
Vibrational Intensities  221 
Zero-point energies  235 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   128  
Dipole dipole  140 
Quadrupole quadrupole  138 
Polarizability polarizability  142 
Other results Spin   226  
Number of basis functions   5  
Diagnostics   1  
Conformations   1