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 SiH (Silylidyne)

Other names
Silicon hydride; Silylidyne;

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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   555  
Energy 298.15K   33  
Atomization Enthalpy 298.15K x21x
Atomization Enthalpy 0K x25x
Entropy (298.15K) entropy x16x
Entropy at any temperature   16  
Integrated Heat Capacity integrated heat capacity x16x
Heat Capacity (Cp) Heat capacity x16x
Nuclear Repulsion Energy   527  
HOMO-LUMO Energies HOMO energies   411  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x501  
Internal Coordinates bond lengths bond angles x501x
Products of moments of inertia moments of inertia x492x
Rotational Constants rotational constants x502x
Point Group  533 
Vibrations Vibrational Frequencies vibrations x496x
Vibrational Intensities  622 
Zero-point energies x496x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   270  
Dipole dipole  311 
Quadrupole quadrupole  304 
Polarizability polarizability  302 
Other results Spin   529  
Number of basis functions   99  
Conformations   1  
2015 06 10 17:36