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 SO (Sulfur monoxide)

1907021335
Other names
Sulfur monoxide; Sulfur oxide;
INChI
InChI=1S/OS/c1-2

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 x    
Energy 0K   1733  
Energy 298.15K   217  
Atomization Enthalpy 298.15K x23x
Atomization Enthalpy 0K x38x
Entropy (298.15K) entropy x18x
Entropy at any temperature   18  
Integrated Heat Capacity integrated heat capacity x18x
Heat Capacity (Cp) Heat capacity x18x
Nuclear Repulsion Energy   1709  
HOMO-LUMO Energies HOMO energies   1452  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x1681  
Internal Coordinates bond lengths bond angles x1681x
Products of moments of inertia moments of inertia x1665x
Rotational Constants rotational constants x1683x
Point Group  1712 
Vibrations Vibrational Frequencies vibrations fun. har.1671x
Vibrational Intensities  2277 
Zero-point energies  1671 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   1031  
Electronic States Electronic states x 725  
Electrostatics Atom charges   1015  
Dipole dipole x1313x
Quadrupole quadrupole  1103 
Polarizability polarizability  978 
Other results Spin   987  
Number of basis functions   116  
Conformations   1