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

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

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   149  
Energy 298.15K   7  
Atomization Enthalpy 298.15K  6 
Atomization Enthalpy 0K  131 
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   147  
HOMO-LUMO Energies HOMO energies   146  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  146  
Internal Coordinates bond lengths bond angles  146 
Products of moments of inertia moments of inertia  141 
Rotational Constants rotational constants  146 
Point Group  148 
Vibrations Vibrational Frequencies vibrations  146 
Vibrational Intensities  130 
Zero-point energies  146 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   82  
Dipole dipole  82 
Quadrupole quadrupole  81 
Polarizability polarizability  82 
Other results Spin   0  
Number of basis functions   18  
Diagnostics   0  
Conformations   2 x