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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   226  
Energy 298.15K   211  
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   191  
HOMO-LUMO Energies HOMO energies   182  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x173  
Internal Coordinates bond lengths bond angles x173x
Products of moments of inertia moments of inertia  179 
Rotational Constants rotational constants x183x
Point Group  184 
Vibrations Vibrational Frequencies vibrations x182x
Vibrational Intensities  178 
Zero-point energies x182x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Electronic States Electronic states x 0  
Electrostatics Atom charges   148  
Dipole dipole x148x
Quadrupole quadrupole  142 
Polarizability polarizability  129 
Other results Spin   0  
Number of basis functions   27  
Diagnostics   5  
Conformations   1