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

All data (experiment and calculated) in the CCCBDB for SiCl (Clorosilylidyne)

Other names

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   285  
Energy 298.15K   250  
Atomization Enthalpy 298.15K x242x
Atomization Enthalpy 0K x252x
Entropy (298.15K) entropy x234x
Entropy at any temperature   234  
Integrated Heat Capacity integrated heat capacity x234x
Heat Capacity (Cp) Heat capacity x234x
Nuclear Repulsion Energy   246  
HOMO-LUMO Energies HOMO energies   223  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x219  
Internal Coordinates bond lengths bond angles x219x
Products of moments of inertia moments of inertia x221x
Rotational Constants rotational constants x226x
Point Group  229 
Vibrations Vibrational Frequencies vibrations x226x
Vibrational Intensities  206 
Zero-point energies x226x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   172  
Dipole dipole  154 
Quadrupole quadrupole  154 
Polarizability polarizability  140 
Other results Spin   174  
Number of basis functions   5  
Diagnostics   6  
Conformations   1