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

All data (experiment and calculated) in the CCCBDB for SF5 (Sulfur pentafluoride)


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      
Enthalpy 0K enthalpy of formation      
Energy 0K   354  
Energy 298.15K   9  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   355  
HOMO-LUMO Energies HOMO energies   353  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  353  
Internal Coordinates bond lengths bond angles  353 
Products of moments of inertia moments of inertia  339 
Rotational Constants rotational constants  346 
Point Group  356 
Vibrations Vibrational Frequencies vibrations  345 
Vibrational Intensities  321 
Zero-point energies  345 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   216  
Dipole dipole  280 
Quadrupole quadrupole  249 
Polarizability polarizability  199 
Other results Spin   355  
Number of basis functions   30  
Diagnostics   0  
Conformations   2 x