National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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

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


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   280  
Energy 298.15K   10  
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   275  
HOMO-LUMO Energies HOMO energies   276  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  276  
Internal Coordinates bond lengths bond angles  276 
Products of moments of inertia moments of inertia  266 
Rotational Constants rotational constants  274 
Point Group  277 
Vibrations Vibrational Frequencies vibrations  275 
Vibrational Intensities  251 
Zero-point energies  275 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   147  
Dipole dipole  169 
Quadrupole quadrupole  166 
Polarizability polarizability  154 
Other results Spin   273  
Number of basis functions   78  
Conformations   1  
2015 06 10 17:36