return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for SiC- (silicon monocarbide anion)

1907021335
INChI
InChI=1S/CSi/c1-2/q-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      
Enthalpy 0K enthalpy of formation      
Energy 0K   300  
Energy 298.15K   287  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
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   293  
HOMO-LUMO Energies HOMO energies   296  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  297  
Internal Coordinates bond lengths bond angles  295 
Products of moments of inertia moments of inertia  286 
Rotational Constants rotational constants  294 
Point Group  297 
Vibrations Vibrational Frequencies vibrations  294 
Vibrational Intensities  272 
Zero-point energies  294 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   168  
Dipole dipole  189 
Quadrupole quadrupole  184 
Polarizability polarizability  180 
Other results Spin   293  
Number of basis functions   92  
Conformations   1