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

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

Other names
Clorosilylidyne;
INChI
InChI=1/ClSi/c1-2

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   275  
Energy 298.15K   249  
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   236  
HOMO-LUMO Energies HOMO energies   212  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x209  
Internal Coordinates bond lengths bond angles x209x
Products of moments of inertia moments of inertia x213x
Rotational Constants rotational constants x217x
Point Group  219 
Vibrations Vibrational Frequencies vibrations x217x
Vibrational Intensities  197 
Zero-point energies x217x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   166  
Dipole dipole  149 
Quadrupole quadrupole  151 
Polarizability polarizability  134 
Other results Spin   162  
Number of basis functions   32  
Diagnostics   6  
Conformations   1