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

All data (experiment and calculated) in the CCCBDB for H3PO4 (Phosphoric Acid)

INChI
InChI=1S/H3O4P/c1-5(2,3)4/h1-3H

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   271  
Energy 298.15K   6  
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   269  
HOMO-LUMO Energies HOMO energies   267  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  267  
Internal Coordinates bond lengths bond angles  267 
Products of moments of inertia moments of inertia  258 
Rotational Constants rotational constants  262 
Point Group  270 
Vibrations Vibrational Frequencies vibrations  262 
Vibrational Intensities  253 
Zero-point energies  262 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   175  
Dipole dipole  175 
Quadrupole quadrupole  175 
Polarizability polarizability  175 
Other results Spin   0  
Number of basis functions   24  
Diagnostics   0  
Conformations   1