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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;
INChI
InChI=1/Si2/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   555  
Energy 298.15K   262  
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   539  
HOMO-LUMO Energies HOMO energies   511  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x512  
Internal Coordinates bond lengths bond angles x512x
Products of moments of inertia moments of inertia x498x
Rotational Constants rotational constants x511x
Point Group  540 
Vibrations Vibrational Frequencies vibrations x511x
Vibrational Intensities  428 
Zero-point energies x511x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 234  
Electrostatics Atom charges   296  
Dipole dipole x386x
Quadrupole quadrupole  295 
Polarizability polarizability  276 
Other results Spin   304  
Number of basis functions   33  
Diagnostics   6  
Conformations   1