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

All data (experiment and calculated) in the CCCBDB for PCl3 (Phosphorus trichloride)

Other names
Chloride of phosphorus; Fosforo(tricloruro di); Fosfortrichloride; Phosphore(trichlorure de); Phosphorous chloride; Phosphorous trichloride; Phosphortrichlorid; Phosphorus chloride; Phosphorus trichloride; Phosphorus(III) chloride; Trojchlorek fosforu; UN 1809; trichlorophosphine;
INChI
InChI=1/Cl3P/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 x    
Energy 0K   245  
Energy 298.15K   212  
Atomization Enthalpy 298.15K x205x
Atomization Enthalpy 0K x209x
Entropy (298.15K) entropy x194x
Entropy at any temperature   194  
Integrated Heat Capacity integrated heat capacity x194x
Heat Capacity (Cp) Heat capacity x194x
Nuclear Repulsion Energy   210  
HOMO-LUMO Energies HOMO energies   202  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x191  
Internal Coordinates bond lengths bond angles x191x
Products of moments of inertia moments of inertia  197 
Rotational Constants rotational constants x202x
Point Group  203 
Vibrations Vibrational Frequencies vibrations x200x
Vibrational Intensities  196 
Zero-point energies x200x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   158  
Dipole dipole x161x
Quadrupole quadrupole  153 
Polarizability polarizability  139 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   5  
Conformations   1