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All data (experiment and calculated) in the CCCBDB for CS (carbon monosulfide)

1907021335
Other names
Carbon sulfide;
INChI
InChI=1S/CS/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   367  
Energy 298.15K   359  
Atomization Enthalpy 298.15K x250x
Atomization Enthalpy 0K x256x
Entropy (298.15K) entropy x262x
Entropy at any temperature   262  
Integrated Heat Capacity integrated heat capacity x262x
Heat Capacity (Cp) Heat capacity x262x
Nuclear Repulsion Energy   329  
HOMO-LUMO Energies HOMO energies   327  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x305  
Internal Coordinates bond lengths bond angles x304x
Products of moments of inertia moments of inertia x309x
Rotational Constants rotational constants x315x
Point Group  335 
Vibrations Vibrational Frequencies vibrations fun. har.313x
Vibrational Intensities  290 
Zero-point energies x313x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   183  
Dipole dipole x313x
Quadrupole quadrupole x196x
Polarizability polarizability  219 
Other results Spin   10  
Number of basis functions   20  
Conformations   1