return to home page

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

All data (experiment and calculated) in the CCCBDB for SiCl2 (Dichlorosilylene)

Other names
Dichlorosilylene; silicon dichloride;
INChI
InChI=1/Cl2Si/c1-3-2

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   246  
Energy 298.15K   228  
Atomization Enthalpy 298.15K x222x
Atomization Enthalpy 0K x228x
Entropy (298.15K) entropy x209x
Entropy at any temperature   209  
Integrated Heat Capacity integrated heat capacity x209x
Heat Capacity (Cp) Heat capacity x209x
Nuclear Repulsion Energy   209  
HOMO-LUMO Energies HOMO energies   199  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x182  
Internal Coordinates bond lengths bond angles x182x
Products of moments of inertia moments of inertia x189x
Rotational Constants rotational constants x193x
Point Group  194 
Vibrations Vibrational Frequencies vibrations x191x
Vibrational Intensities  184 
Zero-point energies x191x
Vibrational scaling factors x
Anharmonic frequencies and constants   4  
Electronic States Electronic states x 0  
Electrostatics Atom charges   159  
Dipole dipole  151 
Quadrupole quadrupole  145 
Polarizability polarizability  132 
Other results Spin   0  
Number of basis functions   28  
Diagnostics   5  
Conformations   1