return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for SO2+ (Sulfur dioxide cation)

1907021335
INChI
InChI=1S/O2S/c1-3-2/q+1

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   308  
Energy 298.15K   276  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   295  
HOMO-LUMO Energies HOMO energies   286  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  297  
Internal Coordinates bond lengths bond angles  297 
Products of moments of inertia moments of inertia  283 
Rotational Constants rotational constants  286 
Point Group  299 
Vibrations Vibrational Frequencies vibrations  284 
Vibrational Intensities  270 
Zero-point energies  284 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   176  
Dipole dipole  189 
Quadrupole quadrupole  185 
Polarizability polarizability  176 
Other results Spin   296  
Number of basis functions   54  
Conformations   1