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All data (experiment and calculated) in the CCCBDB for P (Phosphorus atom)

1907021335
Other names
Phosphorous; Phosphorus; Phosphorus, red; Phosphorus-30; Red phosphorus; White phosphorus;
INChI
InChI=1S/P

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 x    
Energy 0K   1098  
Energy 298.15K   86  
Atomization Enthalpy 298.15K x0x
Atomization Enthalpy 0K x0x
Entropy (298.15K) entropy x76x
Entropy at any temperature   76  
Integrated Heat Capacity integrated heat capacity x76x
Heat Capacity (Cp) Heat capacity x76x
Nuclear Repulsion Energy   34  
HOMO-LUMO Energies HOMO energies   39  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  0  
Internal Coordinates bond lengths bond angles  0 
Products of moments of inertia moments of inertia  0 
Rotational Constants rotational constants  0 
Point Group  1043 
Vibrations Vibrational Frequencies vibrations  0 
Vibrational Intensities  0 
Zero-point energies x0x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   0  
Electronic States Electronic states x 0  
Electrostatics Atom charges   44  
Dipole dipole x415x
Quadrupole quadrupole  533 
Polarizability polarizability x416x
Other results Spin   1060  
Number of basis functions   63  
Conformations   1