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

All data (experiment and calculated) in the CCCBDB for ZnS (Zinc sulfide)

INChI
InChI=1S/S.Zn

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   220  
Energy 298.15K   5  
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   216  
HOMO-LUMO Energies HOMO energies   212  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  212  
Internal Coordinates bond lengths bond angles x212x
Products of moments of inertia moments of inertia  200 
Rotational Constants rotational constants x203x
Point Group  217 
Vibrations Vibrational Frequencies vibrations x203x
Vibrational Intensities  185 
Zero-point energies x203x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   1  
Electrostatics Atom charges   120  
Dipole dipole  120 
Quadrupole quadrupole  119 
Polarizability polarizability  124 
Other results Spin   1  
Number of basis functions   25  
Diagnostics   0  
Conformations   1