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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   206  
Energy 298.15K   10  
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   203  
HOMO-LUMO Energies HOMO energies   202  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  203  
Internal Coordinates bond lengths bond angles  203 
Products of moments of inertia moments of inertia  196 
Rotational Constants rotational constants  203 
Point Group  204 
Vibrations Vibrational Frequencies vibrations x202x
Vibrational Intensities  202 
Zero-point energies  202 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   131  
Dipole dipole  131 
Quadrupole quadrupole  131 
Polarizability polarizability  132 
Other results Spin   186  
Number of basis functions   31  
Diagnostics   0  
Conformations   1