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

All data (experiment and calculated) in the CCCBDB for ZnCN (Zinc monocyanide)

INChI
InChI=1S/CN.Zn/c1-2;

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   193  
Energy 298.15K   7  
Atomization Enthalpy 298.15K  6 
Atomization Enthalpy 0K  157 
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   191  
HOMO-LUMO Energies HOMO energies   191  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  191  
Internal Coordinates bond lengths bond angles  191 
Products of moments of inertia moments of inertia  186 
Rotational Constants rotational constants  191 
Point Group  192 
Vibrations Vibrational Frequencies vibrations  191 
Vibrational Intensities  172 
Zero-point energies  191 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   112  
Dipole dipole  112 
Quadrupole quadrupole  112 
Polarizability polarizability  99 
Other results Spin   189  
Number of basis functions   20  
Diagnostics   0  
Conformations   2 x