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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   276  
Energy 298.15K   15  
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   257  
HOMO-LUMO Energies HOMO energies   257  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  257  
Internal Coordinates bond lengths bond angles  257 
Products of moments of inertia moments of inertia  248 
Rotational Constants rotational constants  257 
Point Group  259 
Vibrations Vibrational Frequencies vibrations  258 
Vibrational Intensities  242 
Zero-point energies  258 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 233  
Electrostatics Atom charges   157  
Dipole dipole  158 
Quadrupole quadrupole  158 
Polarizability polarizability  157 
Other results Spin   12  
Number of basis functions   30  
Diagnostics   0  
Conformations   1