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

All data (experiment and calculated) in the CCCBDB for F2SO (Thionyl Fluoride)

Other names
Sulfur difluoride oxide; Sulfurous oxyfluoride; Thionyl difluoride; Sulfur difluoride monoxide; sulfurous difluoride;

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      
Energy 0K   383  
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   384  
HOMO-LUMO Energies HOMO energies   383  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x383  
Internal Coordinates bond lengths bond angles x383x
Products of moments of inertia moments of inertia x374x
Rotational Constants rotational constants x382x
Point Group  385 
Vibrations Vibrational Frequencies vibrations x381x
Vibrational Intensities  339 
Zero-point energies x381x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   225  
Dipole dipole  297 
Quadrupole quadrupole  262 
Polarizability polarizability  225 
Other results Spin   0  
Number of basis functions   31  
Diagnostics   0  
Conformations   1