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

All data (experiment and calculated) in the CCCBDB for PBr3 (Phosphorus tribromide)

INChI
InChI=1S/Br3P/c1-4(2)3

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      
Energy 0K   323  
Energy 298.15K   10  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity x0x
Nuclear Repulsion Energy   324  
HOMO-LUMO Energies HOMO energies   324  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x323  
Internal Coordinates bond lengths bond angles x323x
Products of moments of inertia moments of inertia  311 
Rotational Constants rotational constants x319x
Point Group  325 
Vibrations Vibrational Frequencies vibrations  318 
Vibrational Intensities  292 
Zero-point energies  318 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   197  
Dipole dipole x263x
Quadrupole quadrupole  232 
Polarizability polarizability  197 
Other results Spin   0  
Number of basis functions   29  
Diagnostics   0  
Conformations   1