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

All data (experiment and calculated) in the CCCBDB for SiC (silicon monocarbide)

Other names
Silicon carbide;
INChI
InChI=1S/CSi/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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   1184  
Energy 298.15K   34  
Atomization Enthalpy 298.15K x12x
Atomization Enthalpy 0K  219 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   1166  
HOMO-LUMO Energies HOMO energies   1059  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  1165  
Internal Coordinates bond lengths bond angles  1165 
Products of moments of inertia moments of inertia  1140 
Rotational Constants rotational constants  1164 
Point Group  1168 
Vibrations Vibrational Frequencies vibrations  1164 
Vibrational Intensities  1058 
Zero-point energies  1164 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 672  
Electrostatics Atom charges   683  
Dipole dipole  834 
Quadrupole quadrupole  748 
Polarizability polarizability  574 
Other results Spin   480  
Number of basis functions   62  
Diagnostics   0  
Conformations   1