National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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

All data (experiment and calculated) in the CCCBDB for SO (Sulfur monoxide)

Other names
Sulfur monoxide; Sulfur oxide;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   784  
Energy 298.15K   60  
Atomization Enthalpy 298.15K x47x
Atomization Enthalpy 0K x226x
Entropy (298.15K) entropy x34x
Entropy at any temperature   34  
Integrated Heat Capacity integrated heat capacity x34x
Heat Capacity (Cp) Heat capacity x34x
Nuclear Repulsion Energy   758  
HOMO-LUMO Energies HOMO energies   680  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x718  
Internal Coordinates bond lengths bond angles x718x
Products of moments of inertia moments of inertia x712x
Rotational Constants rotational constants x729x
Point Group  746 
Vibrations Vibrational Frequencies vibrations x728x
Vibrational Intensities  957 
Zero-point energies  726 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 262  
Electrostatics Atom charges   426  
Dipole dipole x503x
Quadrupole quadrupole  466 
Polarizability polarizability  446 
Other results Spin   497  
Number of basis functions   48  
Conformations   1  
2015 06 10 17:36