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 SiH3Cl (chlorosilane)

Other names
Chlorosilane; Silane, chloro-;

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   295  
Energy 298.15K   226  
Atomization Enthalpy 298.15K x220x
Atomization Enthalpy 0K x224x
Entropy (298.15K) entropy x209x
Entropy at any temperature   209  
Integrated Heat Capacity integrated heat capacity x209x
Heat Capacity (Cp) Heat capacity x209x
Nuclear Repulsion Energy   255  
HOMO-LUMO Energies HOMO energies   248  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x229  
Internal Coordinates bond lengths bond angles x229x
Products of moments of inertia moments of inertia x236x
Rotational Constants rotational constants x240x
Point Group  241 
Vibrations Vibrational Frequencies vibrations x2124x
Vibrational Intensities  245 
Zero-point energies x236x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Electronic States Electronic states x 0  
Electrostatics Atom charges   179  
Dipole dipole x197x
Quadrupole quadrupole  179 
Polarizability polarizability  164 
Other results Spin   0  
Number of basis functions   4  
Conformations   1  
2015 06 10 17:36