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

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


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   531  
Energy 298.15K   20  
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   526  
HOMO-LUMO Energies HOMO energies   522  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  522  
Internal Coordinates bond lengths bond angles  522 
Products of moments of inertia moments of inertia  491 
Rotational Constants rotational constants  506 
Point Group  527 
Vibrations Vibrational Frequencies vibrations  498 
Vibrational Intensities  473 
Zero-point energies  498 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   285  
Dipole dipole  299 
Quadrupole quadrupole  293 
Polarizability polarizability  267 
Other results Spin   518  
Number of basis functions   9  
Diagnostics   0  
Conformations   2 x