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

All data (experiment and calculated) in the CCCBDB for PO2- (Phosphorus dioxide anion)

INChI
InChI=1S/HO2P/c1-3-2/h(H,1,2)/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   212  
Energy 298.15K   11  
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   209  
HOMO-LUMO Energies HOMO energies   209  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  209  
Internal Coordinates bond lengths bond angles  209 
Products of moments of inertia moments of inertia  201 
Rotational Constants rotational constants  209 
Point Group  210 
Vibrations Vibrational Frequencies vibrations  208 
Vibrational Intensities  199 
Zero-point energies  208 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   120  
Dipole dipole  130 
Quadrupole quadrupole  126 
Polarizability polarizability  130 
Other results Spin   4  
Number of basis functions   7  
Diagnostics   0  
Conformations   1