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

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


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      
Enthalpy 0K enthalpy of formation      
Energy 0K   478  
Energy 298.15K   21  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   472  
HOMO-LUMO Energies HOMO energies   470  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  471  
Internal Coordinates bond lengths bond angles  471 
Products of moments of inertia moments of inertia  453 
Rotational Constants rotational constants  469 
Point Group  473 
Vibrations Vibrational Frequencies vibrations  468 
Vibrational Intensities  440 
Zero-point energies  468 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 238  
Electrostatics Atom charges   254  
Dipole dipole  275 
Quadrupole quadrupole  272 
Polarizability polarizability  279 
Other results Spin   221  
Number of basis functions   37  
Diagnostics   1  
Conformations   1