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

All data (experiment and calculated) in the CCCBDB for SCl2 (Sulfur dichloride)

Other names
Sulfur chloride; Chlorine sulfide; Dichlorosulfane; Monosulfur dichloride; Sulfur(II) chloride; Chloride of sulfur; Chlorine sulfide; UN 1828; hypochlorous thioanhydride;
INChI
InChI=1/Cl2S/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      
Energy 0K   668  
Energy 298.15K   222  
Atomization Enthalpy 298.15K x194x
Atomization Enthalpy 0K  198 
Entropy (298.15K) entropy x191x
Entropy at any temperature   191  
Integrated Heat Capacity integrated heat capacity  191 
Heat Capacity (Cp) Heat capacity  191 
Nuclear Repulsion Energy   645  
HOMO-LUMO Energies HOMO energies   590  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x640  
Internal Coordinates bond lengths bond angles x640x
Products of moments of inertia moments of inertia x627x
Rotational Constants rotational constants x641x
Point Group  647 
Vibrations Vibrational Frequencies vibrations x639x
Vibrational Intensities  586 
Zero-point energies x639x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   367  
Dipole dipole x447x
Quadrupole quadrupole  412 
Polarizability polarizability  367 
Other results Spin   0  
Number of basis functions   38  
Diagnostics   5  
Conformations   1