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

All data (experiment and calculated) in the CCCBDB for SiH3F (monofluorosilane)

Other names
Fluorosilane; Silane, 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   269  
Energy 298.15K   235  
Atomization Enthalpy 298.15K x229x
Atomization Enthalpy 0K x233x
Entropy (298.15K) entropy x216x
Entropy at any temperature   216  
Integrated Heat Capacity integrated heat capacity x216x
Heat Capacity (Cp) Heat capacity x216x
Nuclear Repulsion Energy   232  
HOMO-LUMO Energies HOMO energies   223  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x206  
Internal Coordinates bond lengths bond angles x206x
Products of moments of inertia moments of inertia  210 
Rotational Constants rotational constants x215x
Point Group  216 
Vibrations Vibrational Frequencies vibrations x210x
Vibrational Intensities  200 
Zero-point energies x210x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   167  
Dipole dipole x164x
Quadrupole quadrupole  155 
Polarizability polarizability  144 
Other results Spin   0  
Number of basis functions   5  
Diagnostics   6  
Conformations   1