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

All data (experiment and calculated) in the CCCBDB for H3O+ (hydronium)

INChI
InChI=1S/H2O/h1H2/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      
Enthalpy 0K enthalpy of formation      
Energy 0K   252  
Energy 298.15K   236  
Atomization Enthalpy 298.15K  144 
Atomization Enthalpy 0K  144 
Entropy (298.15K) entropy  218 
Entropy at any temperature   218  
Integrated Heat Capacity integrated heat capacity  218 
Heat Capacity (Cp) Heat capacity  218 
Nuclear Repulsion Energy   245  
HOMO-LUMO Energies HOMO energies   245  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  230  
Internal Coordinates bond lengths bond angles x230x
Products of moments of inertia moments of inertia  238 
Rotational Constants rotational constants  245 
Point Group  246 
Vibrations Vibrational Frequencies vibrations x246x
Vibrational Intensities  228 
Zero-point energies x246x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   136  
Dipole dipole  141 
Quadrupole quadrupole  141 
Polarizability polarizability  142 
Other results Spin   0  
Number of basis functions   31  
Diagnostics   1  
Conformations   1