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

All data (experiment and calculated) in the CCCBDB for PH2+ (Phosphino cation)


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   276  
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   271  
HOMO-LUMO Energies HOMO energies   271  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  270  
Internal Coordinates bond lengths bond angles  270 
Products of moments of inertia moments of inertia  263 
Rotational Constants rotational constants  271 
Point Group  272 
Vibrations Vibrational Frequencies vibrations  270 
Vibrational Intensities  240 
Zero-point energies  270 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   145  
Dipole dipole  157 
Quadrupole quadrupole  155 
Polarizability polarizability  143 
Other results Spin   0  
Number of basis functions   7  
Diagnostics   1  
Conformations   1