return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for SCl+ (sulfur monochloride cation)

1907021335
INChI
InChI=1S/ClS/c1-2/q+1

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   1062  
Energy 298.15K   298  
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   1054  
HOMO-LUMO Energies HOMO energies   941  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  1056  
Internal Coordinates bond lengths bond angles  1056 
Products of moments of inertia moments of inertia  1026 
Rotational Constants rotational constants  1042 
Point Group  1059 
Vibrations Vibrational Frequencies vibrations  1029 
Vibrational Intensities  1141 
Zero-point energies  1029 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   492  
Electronic States Electronic states x 266  
Electrostatics Atom charges   632  
Dipole dipole  791 
Quadrupole quadrupole  680 
Polarizability polarizability  655 
Other results Spin   781  
Number of basis functions   78  
Conformations   1