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

All data (experiment and calculated) in the CCCBDB for P2H4 (H2PPH2)

Other names
Diphosphine;
INChI
InChI=1/H4P2/c1-2/h1-2H2

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 x    
Energy 0K   253  
Energy 298.15K   235  
Atomization Enthalpy 298.15K  231 
Atomization Enthalpy 0K x237x
Entropy (298.15K) entropy  219 
Entropy at any temperature   219  
Integrated Heat Capacity integrated heat capacity  219 
Heat Capacity (Cp) Heat capacity  219 
Nuclear Repulsion Energy   215  
HOMO-LUMO Energies HOMO energies   206  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x188  
Internal Coordinates bond lengths bond angles x188x
Products of moments of inertia moments of inertia  194 
Rotational Constants rotational constants  198 
Point Group  200 
Vibrations Vibrational Frequencies vibrations  196 
Vibrational Intensities  185 
Zero-point energies  196 
Vibrational scaling factors  
Anharmonic frequencies and constants   4  
Electronic States Electronic states x 0  
Electrostatics Atom charges   161  
Dipole dipole  153 
Quadrupole quadrupole  147 
Polarizability polarizability  139 
Other results Spin   0  
Number of basis functions   30  
Diagnostics   6  
Conformations   1