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

All data (experiment and calculated) in the CCCBDB for S2Cl2 (Disulfur dichloride)

Other names
Sulfur chloride; Thiosulfurous dichloride; Chlorschwefel; Sulfur subchloride; Chlorosulfane; hypochlorous dithioperoxyanhydride;
INChI
InChI=1/Cl2S2/c1-3-4-2

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   225  
Energy 298.15K   189  
Atomization Enthalpy 298.15K x182x
Atomization Enthalpy 0K x189x
Entropy (298.15K) entropy x173x
Entropy at any temperature   173  
Integrated Heat Capacity integrated heat capacity x173x
Heat Capacity (Cp) Heat capacity x173x
Nuclear Repulsion Energy   205  
HOMO-LUMO Energies HOMO energies   199  
Barriers to Internal Rotation internal rotation x7x
Geometries Cartesians x197  
Internal Coordinates bond lengths bond angles x197x
Products of moments of inertia moments of inertia x199x
Rotational Constants rotational constants x204x
Point Group  205 
Vibrations Vibrational Frequencies vibrations x201x
Vibrational Intensities  195 
Zero-point energies x201x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   140  
Dipole dipole  138 
Quadrupole quadrupole  134 
Polarizability polarizability  137 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   5  
Conformations   1