return to home page

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

All data (experiment and calculated) in the CCCBDB for SiF (silicon monofluoride)

Other names
Fluorosilylidyne; Silicon fluoride; Silylidyne, fluoro-;

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 x    
Energy 0K   287  
Energy 298.15K   250  
Atomization Enthalpy 298.15K x242x
Atomization Enthalpy 0K x256x
Entropy (298.15K) entropy x232x
Entropy at any temperature   232  
Integrated Heat Capacity integrated heat capacity x232x
Heat Capacity (Cp) Heat capacity x232x
Nuclear Repulsion Energy   249  
HOMO-LUMO Energies HOMO energies   223  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x211  
Internal Coordinates bond lengths bond angles x211x
Products of moments of inertia moments of inertia x221x
Rotational Constants rotational constants x226x
Point Group  231 
Vibrations Vibrational Frequencies vibrations x225x
Vibrational Intensities  205 
Zero-point energies x225x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   174  
Dipole dipole  153 
Quadrupole quadrupole  154 
Polarizability polarizability  140 
Other results Spin   173  
Number of basis functions   35  
Diagnostics   6  
Conformations   1