PM7 Accuracy

phosphorus trichloride   2592 Phosphorus trichloride

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    #  Species Formula
  2582 Aluminum trichlorideAlCl3
  2583 Al(III)Cl3N (CMAMAL01) (Geo)C3H9NAlCl3
  2584 Al(III)Cl3N (CMAMAL01)C3H9NAlCl3
  2585 Trimethyamine-Aluminum trichloride (Geo)C3H9NAlCl3
  2586 TrichlorosilylSiCl3
  2587 TrichlorosilaneHSiCl3
  2588 Trichloromethylsilane (Geo)CH3SiCl3
  2589 TrichloromethylsilaneCH3SiCl3
  2590 Phosphorus trichloride (+)PCl3
  2591 Phosphorus trichloride (Geo)PCl3
  2592 Phosphorus trichloride PCl3
  2593 Phosphorus oxychlorideOPCl3
  2594 Phosphorus oxychloride (Geo)OPCl3
  2595 Sulfur trichlorideSCl3
  2596 SOCl3OSCl3
  2597 Phosphorus thiochloridePSCl3
  2598 Thiophosphoryl chloride (Geo)PSCl3
  2599 B2Cl4B2Cl4
  2600 B2Cl4 (Geo)B2Cl4
  2601 B4Cl4 (Geo)B4Cl4
  2602 Carbon tetrachlorideCCl4


DHf: -69.0 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
I.P.: 10.5 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 SYMMETRY PM7
Phosphorus trichloride
 H=-69.0 HR=JANAF86 I=10.5 IR=LLNBS82 S=74.52 CP=17.16
 Cl     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  P     1.97351676  1    0.0000000  0    0.0000000  0     1     0     0
 Cl     1.97351676  0  102.4776350  1    0.0000000  0     2     1     0
 Cl     1.97351676  0  102.4776350  0 -105.9914372  1     2     1     3
 
   2  1    3    4
   3  2    4