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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   201  
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   199  
HOMO-LUMO Energies HOMO energies   199  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  199  
Internal Coordinates bond lengths bond angles  199 
Products of moments of inertia moments of inertia  193 
Rotational Constants rotational constants  198 
Point Group  200 
Vibrations Vibrational Frequencies vibrations  198 
Vibrational Intensities  179 
Zero-point energies  198 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   117  
Dipole dipole  116 
Quadrupole quadrupole  114 
Polarizability polarizability  104 
Other results Spin   197  
Number of basis functions   2  
Diagnostics   0  
Conformations   2 x