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

All data (experiment and calculated) in the CCCBDB for PH4+ (phosphonium cation)

Other names
Phosphine, protonated; phosphonium;
INChI
InChI=1S/H3P/h1H3/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   254  
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   249  
HOMO-LUMO Energies HOMO energies   248  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  248  
Internal Coordinates bond lengths bond angles  248 
Products of moments of inertia moments of inertia  240 
Rotational Constants rotational constants  248 
Point Group  250 
Vibrations Vibrational Frequencies vibrations  246 
Vibrational Intensities  232 
Zero-point energies  246 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   131  
Dipole dipole  143 
Quadrupole quadrupole  141 
Polarizability polarizability  145 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   1  
Conformations   1