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All data (experiment and calculated) in the CCCBDB for SiF3 (Silicon trifluoride radical)

1907021335
Other names
trifluorosilyl radical;
INChI
InChI=1S/F3Si/c1-4(2)3

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      
Energy 0K   491  
Energy 298.15K   473  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity x0x
Nuclear Repulsion Energy   492  
HOMO-LUMO Energies HOMO energies   433  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  492  
Internal Coordinates bond lengths bond angles x492x
Products of moments of inertia moments of inertia  484 
Rotational Constants rotational constants x492x
Point Group  493 
Vibrations Vibrational Frequencies vibrations fun. 492x
Vibrational Intensities  437 
Zero-point energies x492x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   292  
Dipole dipole x394x
Quadrupole quadrupole  325 
Polarizability polarizability  324 
Other results Spin   492  
Number of basis functions   62  
Conformations   1