return to home page

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

All data (experiment and calculated) in the CCCBDB for SF5Cl (sulfur chloropentafluoride)

Other names
sulphur chloride pentafluoride;
INChI
InChI=1S/ClF5S/c1-7(2,3,4,5)6

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      
Energy 0K   438  
Energy 298.15K   10  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity x0x
Nuclear Repulsion Energy   439  
HOMO-LUMO Energies HOMO energies   395  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x436  
Internal Coordinates bond lengths bond angles x436x
Products of moments of inertia moments of inertia  428 
Rotational Constants rotational constants x436x
Point Group  440 
Vibrations Vibrational Frequencies vibrations x367x
Vibrational Intensities  342 
Zero-point energies x367x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   255  
Dipole dipole  327 
Quadrupole quadrupole  281 
Polarizability polarizability  227 
Other results Spin   0  
Number of basis functions   31  
Diagnostics   0  
Conformations   1