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 SCl4 (Sulfur tetrachloride)

1907021335
INChI
InChI=1S/Cl4S/c1-5(2,3)4

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   469  
Energy 298.15K   10  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   470  
HOMO-LUMO Energies HOMO energies   436  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  470  
Internal Coordinates bond lengths bond angles  1 
Products of moments of inertia moments of inertia  462 
Rotational Constants rotational constants  470 
Point Group  471 
Vibrations Vibrational Frequencies vibrations  461 
Vibrational Intensities  435 
Zero-point energies  461 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   354  
Electronic States Electronic states   0  
Electrostatics Atom charges   304  
Dipole dipole  411 
Quadrupole quadrupole  349 
Polarizability polarizability  358 
Other results Spin   0  
Number of basis functions   31  
Conformations   1