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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   262  
Energy 298.15K   237  
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   255  
HOMO-LUMO Energies HOMO energies   255  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  240  
Internal Coordinates bond lengths bond angles x240x
Products of moments of inertia moments of inertia  247 
Rotational Constants rotational constants  255 
Point Group  256 
Vibrations Vibrational Frequencies vibrations x255x
Vibrational Intensities  237 
Zero-point energies x255x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   134  
Dipole dipole  146 
Quadrupole quadrupole  144 
Polarizability polarizability  148 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   1  
Conformations   1