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

All data (experiment and calculated) in the CCCBDB for S2F2 (Thio-thionyl fluoride)

INChI
InChI=1S/F2S2/c1-3-4-2

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   265  
Energy 298.15K   10  
Atomization Enthalpy 298.15K x8x
Atomization Enthalpy 0K  181 
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   262  
HOMO-LUMO Energies HOMO energies   261  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  261  
Internal Coordinates bond lengths bond angles  261 
Products of moments of inertia moments of inertia  253 
Rotational Constants rotational constants  260 
Point Group  263 
Vibrations Vibrational Frequencies vibrations  260 
Vibrational Intensities  248 
Zero-point energies  260 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   165  
Dipole dipole  165 
Quadrupole quadrupole  165 
Polarizability polarizability  166 
Other results Spin   0  
Number of basis functions   33  
Diagnostics   0  
Conformations   1