return to home page

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

All data (experiment and calculated) in the CCCBDB for SiH (Silylidyne)

Other names
Silicon hydride; Silylidyne;
INChI
InChI=1/HSi/h1H

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   309  
Energy 298.15K   279  
Atomization Enthalpy 298.15K x270x
Atomization Enthalpy 0K x286x
Entropy (298.15K) entropy x264x
Entropy at any temperature   264  
Integrated Heat Capacity integrated heat capacity x264x
Heat Capacity (Cp) Heat capacity x264x
Nuclear Repulsion Energy   271  
HOMO-LUMO Energies HOMO energies   259  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x244  
Internal Coordinates bond lengths bond angles x244x
Products of moments of inertia moments of inertia x245x
Rotational Constants rotational constants x249x
Point Group  253 
Vibrations Vibrational Frequencies vibrations x247x
Vibrational Intensities  219 
Zero-point energies x247x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   175  
Dipole dipole  158 
Quadrupole quadrupole  161 
Polarizability polarizability  144 
Other results Spin   174  
Number of basis functions   34  
Diagnostics   6  
Conformations   1