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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   295  
Energy 298.15K   6  
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   293  
HOMO-LUMO Energies HOMO energies   286  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x286  
Internal Coordinates bond lengths bond angles x286x
Products of moments of inertia moments of inertia x280x
Rotational Constants rotational constants x284x
Point Group  294 
Vibrations Vibrational Frequencies vibrations x284x
Vibrational Intensities  265 
Zero-point energies x284x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   185  
Dipole dipole  185 
Quadrupole quadrupole  185 
Polarizability polarizability  185 
Other results Spin   0  
Number of basis functions   25  
Diagnostics   0  
Conformations   1