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

All data (experiment and calculated) in the CCCBDB for S3- (Sulfur trimer anion)

INChI
InChI=1S/HS3/c1-3-2/h1H/p-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   329  
Energy 298.15K   7  
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   328  
HOMO-LUMO Energies HOMO energies   328  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  328  
Internal Coordinates bond lengths bond angles  328 
Products of moments of inertia moments of inertia  323 
Rotational Constants rotational constants  328 
Point Group  329 
Vibrations Vibrational Frequencies vibrations  328 
Vibrational Intensities  292 
Zero-point energies  328 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   201  
Dipole dipole  201 
Quadrupole quadrupole  201 
Polarizability polarizability  185 
Other results Spin   325  
Number of basis functions   33  
Diagnostics   0  
Conformations   1