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

All data (experiment and calculated) in the CCCBDB for S2- (sulfur dimer anion)

INChI
InChI=1S/S2/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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   239  
Energy 298.15K   11  
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   234  
HOMO-LUMO Energies HOMO energies   233  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  233  
Internal Coordinates bond lengths bond angles  233 
Products of moments of inertia moments of inertia  224 
Rotational Constants rotational constants  232 
Point Group  235 
Vibrations Vibrational Frequencies vibrations x232x
Vibrational Intensities  222 
Zero-point energies x232x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   125  
Dipole dipole  136 
Quadrupole quadrupole  134 
Polarizability polarizability  138 
Other results Spin   232  
Number of basis functions   10  
Diagnostics   1  
Conformations   1