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

All data (experiment and calculated) in the CCCBDB for ClS2 (Sulfur chloride)

Other names
Sulfur chloride;
INChI
InChI=1S/ClS2/c1-3-2

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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   260  
Energy 298.15K   218  
Atomization Enthalpy 298.15K x215x
Atomization Enthalpy 0K x225x
Entropy (298.15K) entropy x206x
Entropy at any temperature   206  
Integrated Heat Capacity integrated heat capacity x206x
Heat Capacity (Cp) Heat capacity x206x
Nuclear Repulsion Energy   227  
HOMO-LUMO Energies HOMO energies   207  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x197  
Internal Coordinates bond lengths bond angles x197x
Products of moments of inertia moments of inertia x204x
Rotational Constants rotational constants x208x
Point Group  212 
Vibrations Vibrational Frequencies vibrations x203x
Vibrational Intensities  196 
Zero-point energies x203x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   169  
Dipole dipole  154 
Quadrupole quadrupole  158 
Polarizability polarizability  136 
Other results Spin   169  
Number of basis functions   5  
Diagnostics   4  
Conformations   1