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

All data (experiment and calculated) in the CCCBDB for PO- (phosphorus monoxide anion)

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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   243  
Energy 298.15K   10  
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   236  
HOMO-LUMO Energies HOMO energies   237  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x236  
Internal Coordinates bond lengths bond angles x236x
Products of moments of inertia moments of inertia  229 
Rotational Constants rotational constants  236 
Point Group  237 
Vibrations Vibrational Frequencies vibrations x236x
Vibrational Intensities  222 
Zero-point energies x236x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   129  
Dipole dipole  139 
Quadrupole quadrupole  138 
Polarizability polarizability  141 
Other results Spin   233  
Number of basis functions   35  
Diagnostics   1  
Conformations   1