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

All data (experiment and calculated) in the CCCBDB for C4H6OS (Vinyl sulfoxide)

Other names
Divinyl sulfoxide; Ethene, 1,1-sulfinylbis-; TL 907; Vinyl sulfoxide; (vinylsulfinyl)ethene;
INChI
InChI=1/C4H6OS/c1-3-6(5)4-2/h3-4H,1-2H2

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   219  
Energy 298.15K   192  
Atomization Enthalpy 298.15K x169x
Atomization Enthalpy 0K  170 
Entropy (298.15K) entropy  187 
Entropy at any temperature   187  
Integrated Heat Capacity integrated heat capacity  187 
Heat Capacity (Cp) Heat capacity  187 
Nuclear Repulsion Energy   216  
HOMO-LUMO Energies HOMO energies   215  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  215  
Internal Coordinates bond lengths bond angles  215 
Products of moments of inertia moments of inertia  208 
Rotational Constants rotational constants  216 
Point Group  217 
Vibrations Vibrational Frequencies vibrations  214 
Vibrational Intensities  214 
Zero-point energies  214 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   139  
Dipole dipole  140 
Quadrupole quadrupole  138 
Polarizability polarizability  140 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   4  
Conformations   2 x