return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > All data for one species

All data (experiment and calculated) in the CCCBDB for SiC2 (Silicon dicarbide)

1907021335
INChI
InChI=1S/C2Si/c1-2-3-1

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   610  
Energy 298.15K   10  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
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   611  
HOMO-LUMO Energies HOMO energies   552  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x611  
Internal Coordinates bond lengths bond angles x611x
Products of moments of inertia moments of inertia x603x
Rotational Constants rotational constants x611x
Point Group  612 
Vibrations Vibrational Frequencies vibrations fun. har.610x
Vibrational Intensities  564 
Zero-point energies x610x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   443  
Electronic States Electronic states x 0  
Electrostatics Atom charges   379  
Dipole dipole x517x
Quadrupole quadrupole  437 
Polarizability polarizability  447 
Other results Spin   0  
Number of basis functions   36  
Conformations   1