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

All data (experiment and calculated) in the CCCBDB for PO+ (phosphorus monoxide cation)

INChI
InChI=1S/OP/c1-2/q+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   243  
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   237  
HOMO-LUMO Energies HOMO energies   238  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  237  
Internal Coordinates bond lengths bond angles  237 
Products of moments of inertia moments of inertia  229 
Rotational Constants rotational constants  237 
Point Group  238 
Vibrations Vibrational Frequencies vibrations x237x
Vibrational Intensities  223 
Zero-point energies x237x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   129  
Dipole dipole  140 
Quadrupole quadrupole  138 
Polarizability polarizability  142 
Other results Spin   12  
Number of basis functions   35  
Diagnostics   1  
Conformations   1