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All data (experiment and calculated) in the CCCBDB for SiH3Cl (chlorosilane)

1907021335
Other names
Chlorosilane; Silane, chloro-;
INChI
InChI=1S/ClH3Si/c1-2/h2H3

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 x    
Energy 0K   800  
Energy 298.15K   77  
Atomization Enthalpy 298.15K x63x
Atomization Enthalpy 0K x63x
Entropy (298.15K) entropy x52x
Entropy at any temperature   52  
Integrated Heat Capacity integrated heat capacity x52x
Heat Capacity (Cp) Heat capacity x52x
Nuclear Repulsion Energy   732  
HOMO-LUMO Energies HOMO energies   643  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x713  
Internal Coordinates bond lengths bond angles x713x
Products of moments of inertia moments of inertia x742x
Rotational Constants rotational constants x751x
Point Group  752 
Vibrations Vibrational Frequencies vibrations fun. 746x
Vibrational Intensities  903 
Zero-point energies x746x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   487  
Electronic States Electronic states x 0  
Electrostatics Atom charges   411  
Dipole dipole x560x
Quadrupole quadrupole  498 
Polarizability polarizability x512x
Other results Spin   0  
Number of basis functions   37  
Conformations   1