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

All data (experiment and calculated) in the CCCBDB for SO3- (Sulfur trioxide anion)

INChI
InChI=1S/O3S/c1-4(2)3/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      
Enthalpy 0K enthalpy of formation      
Energy 0K   513  
Energy 298.15K   19  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   509  
HOMO-LUMO Energies HOMO energies   505  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  505  
Internal Coordinates bond lengths bond angles  505 
Products of moments of inertia moments of inertia  475 
Rotational Constants rotational constants  489 
Point Group  510 
Vibrations Vibrational Frequencies vibrations  483 
Vibrational Intensities  458 
Zero-point energies  483 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   285  
Dipole dipole  289 
Quadrupole quadrupole  289 
Polarizability polarizability  257 
Other results Spin   500  
Number of basis functions   33  
Diagnostics   0  
Conformations   2 x