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

All data (experiment and calculated) in the CCCBDB for SiCl3 (trichlorosilyl radical)

INChI
InChI=1S/Cl3Si/c1-4(2)3

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      
Energy 0K   216  
Energy 298.15K   11  
Atomization Enthalpy 298.15K x8x
Atomization Enthalpy 0K  179 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   213  
HOMO-LUMO Energies HOMO energies   212  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  213  
Internal Coordinates bond lengths bond angles  213 
Products of moments of inertia moments of inertia  205 
Rotational Constants rotational constants  213 
Point Group  214 
Vibrations Vibrational Frequencies vibrations x211x
Vibrational Intensities  211 
Zero-point energies  211 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   137  
Dipole dipole  136 
Quadrupole quadrupole  134 
Polarizability polarizability  138 
Other results Spin   198  
Number of basis functions   5  
Diagnostics   0  
Conformations   1