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

All data (experiment and calculated) in the CCCBDB for SF4 (Sulfur tetrafluoride)

Other names
Tetrafluorosulfurane; UN 2418; Sulfur fluoride; Sulfur tetrafluoride;

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   244  
Energy 298.15K   207  
Atomization Enthalpy 298.15K x178x
Atomization Enthalpy 0K x183x
Entropy (298.15K) entropy x202x
Entropy at any temperature   202  
Integrated Heat Capacity integrated heat capacity x202x
Heat Capacity (Cp) Heat capacity x202x
Nuclear Repulsion Energy   237  
HOMO-LUMO Energies HOMO energies   237  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x238  
Internal Coordinates bond lengths bond angles x238x
Products of moments of inertia moments of inertia x230x
Rotational Constants rotational constants x235x
Point Group  239 
Vibrations Vibrational Frequencies vibrations x234x
Vibrational Intensities  227 
Zero-point energies x234x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   140  
Dipole dipole x144x
Quadrupole quadrupole x139x
Polarizability polarizability  140 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   5  
Conformations   1