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 SiCl3+ (trichlorosilyl cation)

1907021335
INChI
InChI=1S/Cl3Si/c1-4(2)3/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   281  
Energy 298.15K   260  
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   272  
HOMO-LUMO Energies HOMO energies   262  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  273  
Internal Coordinates bond lengths bond angles  272 
Products of moments of inertia moments of inertia  259 
Rotational Constants rotational constants  264 
Point Group  276 
Vibrations Vibrational Frequencies vibrations  260 
Vibrational Intensities  264 
Zero-point energies  260 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   4  
Electronic States Electronic states x 0  
Electrostatics Atom charges   163  
Dipole dipole  52 
Quadrupole quadrupole  171 
Polarizability polarizability  179 
Other results Spin   13  
Number of basis functions   40  
Conformations   1