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

All data (experiment and calculated) in the CCCBDB for SCl (sulfur monochloride)

Other names
Sulfur chloride;

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   758  
Energy 298.15K   258  
Atomization Enthalpy 298.15K x241x
Atomization Enthalpy 0K x254x
Entropy (298.15K) entropy x233x
Entropy at any temperature   233  
Integrated Heat Capacity integrated heat capacity x233x
Heat Capacity (Cp) Heat capacity x233x
Nuclear Repulsion Energy   708  
HOMO-LUMO Energies HOMO energies   598  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x657  
Internal Coordinates bond lengths bond angles x657x
Products of moments of inertia moments of inertia x659x
Rotational Constants rotational constants x671x
Point Group  699 
Vibrations Vibrational Frequencies vibrations x666x
Vibrational Intensities  580 
Zero-point energies x666x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   422  
Dipole dipole  480 
Quadrupole quadrupole  441 
Polarizability polarizability  335 
Other results Spin   648  
Number of basis functions   37  
Diagnostics   6  
Conformations   1