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

All data (experiment and calculated) in the CCCBDB for SO4-2 (sulfate)

Other names
sulfate anion; sulfate;
INChI
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-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      
Enthalpy 0K enthalpy of formation      
Energy 0K   193  
Energy 298.15K   174  
Atomization Enthalpy 298.15K  143 
Atomization Enthalpy 0K  143 
Entropy (298.15K) entropy  169 
Entropy at any temperature   169  
Integrated Heat Capacity integrated heat capacity  169 
Heat Capacity (Cp) Heat capacity  169 
Nuclear Repulsion Energy   185  
HOMO-LUMO Energies HOMO energies   184  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  184  
Internal Coordinates bond lengths bond angles  184 
Products of moments of inertia moments of inertia  180 
Rotational Constants rotational constants  185 
Point Group  186 
Vibrations Vibrational Frequencies vibrations  184 
Vibrational Intensities  182 
Zero-point energies  184 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   107  
Dipole dipole  112 
Quadrupole quadrupole  112 
Polarizability polarizability  113 
Other results Spin   0  
Number of basis functions   27  
Diagnostics   0  
Conformations   1