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All data (experiment and calculated) in the CCCBDB for ZnCl2 (Zinc dichloride)

1907021335
Other names
Zinc chloride; zinc(II) chloride;
INChI
InChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2

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   208  
Energy 298.15K   183  
Atomization Enthalpy 298.15K  3 
Atomization Enthalpy 0K  125 
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   199  
HOMO-LUMO Energies HOMO energies   201  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  202  
Internal Coordinates bond lengths bond angles  201 
Products of moments of inertia moments of inertia  196 
Rotational Constants rotational constants  200 
Point Group  207 
Vibrations Vibrational Frequencies vibrations  198 
Vibrational Intensities  189 
Zero-point energies  198 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   135  
Dipole dipole  139 
Quadrupole quadrupole  133 
Polarizability polarizability  137 
Other results Spin   0  
Number of basis functions   5  
Conformations   2 x