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

All data (experiment and calculated) in the CCCBDB for SO2F2 (Sulfuryl fluoride)

Other names
Sulfonyl fluoride; Sulfur dioxide difluoride; Sulfur fluoride oxide; Sulfuric oxyfluoride; Fluorure de sulfuryle; Sulphuryl fluoride; Sulfuryl difluoride; sulphuryl difluoride;
INChI
InChI=1S/F2O2S/c1-5(2,3)4

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   288  
Energy 298.15K   8  
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  0 
Nuclear Repulsion Energy   287  
HOMO-LUMO Energies HOMO energies   280  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x280  
Internal Coordinates bond lengths bond angles x280x
Products of moments of inertia moments of inertia x272x
Rotational Constants rotational constants x278x
Point Group  288 
Vibrations Vibrational Frequencies vibrations x277x
Vibrational Intensities  258 
Zero-point energies x277x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   174  
Dipole dipole x174x
Quadrupole quadrupole  171 
Polarizability polarizability  174 
Other results Spin   0  
Number of basis functions   27  
Diagnostics   0  
Conformations   1