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

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

Other names
Carbon sulfide;

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   324  
Energy 298.15K   294  
Atomization Enthalpy 298.15K x266x
Atomization Enthalpy 0K x272x
Entropy (298.15K) entropy x279x
Entropy at any temperature   279  
Integrated Heat Capacity integrated heat capacity x279x
Heat Capacity (Cp) Heat capacity x279x
Nuclear Repulsion Energy   292  
HOMO-LUMO Energies HOMO energies   284  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x263  
Internal Coordinates bond lengths bond angles x263x
Products of moments of inertia moments of inertia x265x
Rotational Constants rotational constants x273x
Point Group  294 
Vibrations Vibrational Frequencies vibrations x272x
Vibrational Intensities  232 
Zero-point energies x272x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   167  
Dipole dipole x269x
Quadrupole quadrupole x155x
Polarizability polarizability  181 
Other results Spin   10  
Number of basis functions   6  
Diagnostics   6  
Conformations   1