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

All data (experiment and calculated) in the CCCBDB for P2+ (phosphorus dimer cation)

INChI
InChI=1S/P2/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   234  
Energy 298.15K   8  
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   229  
HOMO-LUMO Energies HOMO energies   227  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x227  
Internal Coordinates bond lengths bond angles x227x
Products of moments of inertia moments of inertia x220x
Rotational Constants rotational constants x227x
Point Group  230 
Vibrations Vibrational Frequencies vibrations x227x
Vibrational Intensities  227 
Zero-point energies x227x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   130  
Dipole dipole  135 
Quadrupole quadrupole  135 
Polarizability polarizability  135 
Other results Spin   227  
Number of basis functions   36  
Diagnostics   1  
Conformations   1