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

All data (experiment and calculated) in the CCCBDB for SiF4 (Silicon tetrafluoride)

Other names
Silane, tetrafluoro-; Silicon fluoride; Silicon fluoride (SiF4); Silicon tetrafluoride; Tetrafluorosilane; UN 1859; perfluorosilane;
INChI
InChI=1/F4Si/c1-5(2,3)4

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   210  
Energy 298.15K   187  
Atomization Enthalpy 298.15K x181x
Atomization Enthalpy 0K x186x
Entropy (298.15K) entropy x183x
Entropy at any temperature   183  
Integrated Heat Capacity integrated heat capacity x183x
Heat Capacity (Cp) Heat capacity x182x
Nuclear Repulsion Energy   189  
HOMO-LUMO Energies HOMO energies   181  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x172  
Internal Coordinates bond lengths bond angles x172x
Products of moments of inertia moments of inertia x180x
Rotational Constants rotational constants x185x
Point Group  186 
Vibrations Vibrational Frequencies vibrations x185x
Vibrational Intensities  182 
Zero-point energies x185x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   150  
Dipole dipole x151x
Quadrupole quadrupole  144 
Polarizability polarizability  133 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   4  
Conformations   1