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

All data (experiment and calculated) in the CCCBDB for H2SeO4 (Selenic acid)


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   305  
Energy 298.15K   9  
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   305  
HOMO-LUMO Energies HOMO energies   295  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  295  
Internal Coordinates bond lengths bond angles  295 
Products of moments of inertia moments of inertia  288 
Rotational Constants rotational constants  295 
Point Group  306 
Vibrations Vibrational Frequencies vibrations  294 
Vibrational Intensities  280 
Zero-point energies  294 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   193  
Dipole dipole  253 
Quadrupole quadrupole  224 
Polarizability polarizability  193 
Other results Spin   0  
Number of basis functions   26  
Diagnostics   0  
Conformations   1