National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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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;

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   221  
Energy 298.15K   182  
Atomization Enthalpy 298.15K x176x
Atomization Enthalpy 0K x182x
Entropy (298.15K) entropy x178x
Entropy at any temperature   178  
Integrated Heat Capacity integrated heat capacity x178x
Heat Capacity (Cp) Heat capacity x177x
Nuclear Repulsion Energy   198  
HOMO-LUMO Energies HOMO energies   191  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x182  
Internal Coordinates bond lengths bond angles x182x
Products of moments of inertia moments of inertia x191x
Rotational Constants rotational constants x195x
Point Group  196 
Vibrations Vibrational Frequencies vibrations x1755x
Vibrational Intensities  197 
Zero-point energies x195x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   155  
Dipole dipole x161x
Quadrupole quadrupole  154 
Polarizability polarizability x143x
Other results Spin   0  
Number of basis functions   4  
Conformations   1  
2015 06 10 17:36