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

All data (experiment and calculated) in the CCCBDB for Si2 (Silicon diatomic)

Other names
Silicon dimer; silicon dimer ; disilicon;

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   574  
Energy 298.15K   265  
Atomization Enthalpy 298.15K x226x
Atomization Enthalpy 0K x452x
Entropy (298.15K) entropy x242x
Entropy at any temperature   242  
Integrated Heat Capacity integrated heat capacity x242x
Heat Capacity (Cp) Heat capacity x242x
Nuclear Repulsion Energy   559  
HOMO-LUMO Energies HOMO energies   532  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x532  
Internal Coordinates bond lengths bond angles x532x
Products of moments of inertia moments of inertia x513x
Rotational Constants rotational constants x529x
Point Group  560 
Vibrations Vibrational Frequencies vibrations x529x
Vibrational Intensities  446 
Zero-point energies x529x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 243  
Electrostatics Atom charges   307  
Dipole dipole x395x
Quadrupole quadrupole  300 
Polarizability polarizability  287 
Other results Spin   314  
Number of basis functions   6  
Diagnostics   6  
Conformations   1