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

All data (experiment and calculated) in the CCCBDB for Si2H6 (disilane)

Other names
Disilane; Silicoethane;

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      
Energy 0K   268  
Energy 298.15K   238  
Atomization Enthalpy 298.15K x232x
Atomization Enthalpy 0K  236 
Entropy (298.15K) entropy x222x
Entropy at any temperature   222  
Integrated Heat Capacity integrated heat capacity x222x
Heat Capacity (Cp) Heat capacity  222 
Nuclear Repulsion Energy   233  
HOMO-LUMO Energies HOMO energies   222  
Barriers to Internal Rotation internal rotation  15 
Geometries Cartesians x205  
Internal Coordinates bond lengths bond angles x205x
Products of moments of inertia moments of inertia x211x
Rotational Constants rotational constants x216x
Point Group  217 
Vibrations Vibrational Frequencies vibrations x212x
Vibrational Intensities  201 
Zero-point energies x212x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   169  
Dipole dipole  163 
Quadrupole quadrupole  155 
Polarizability polarizability  147 
Other results Spin   0  
Number of basis functions   5  
Diagnostics   6  
Conformations   1