return to home page

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

All data (experiment and calculated) in the CCCBDB for SiH3 (Silyl radical)

Other names
Silyl radical;
INChI
InChI=1/H3Si/h1H3

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   302  
Energy 298.15K   265  
Atomization Enthalpy 298.15K x260x
Atomization Enthalpy 0K x269x
Entropy (298.15K) entropy x248x
Entropy at any temperature   248  
Integrated Heat Capacity integrated heat capacity x248x
Heat Capacity (Cp) Heat capacity x248x
Nuclear Repulsion Energy   263  
HOMO-LUMO Energies HOMO energies   255  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x236  
Internal Coordinates bond lengths bond angles x236x
Products of moments of inertia moments of inertia  239 
Rotational Constants rotational constants x244x
Point Group  245 
Vibrations Vibrational Frequencies vibrations x242x
Vibrational Intensities  217 
Zero-point energies x242x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   177  
Dipole dipole  161 
Quadrupole quadrupole  162 
Polarizability polarizability  147 
Other results Spin   163  
Number of basis functions   6  
Diagnostics   6  
Conformations   1