PM7 Accuracy

phosphorus thiochloride   2597 Phosphorus thiochloride

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    #  Species Formula
  2587 TrichlorosilaneHSiCl3
  2588 Trichloromethylsilane (Geo)CH3SiCl3
  2589 TrichloromethylsilaneCH3SiCl3
  2590 Phosphorus trichloride (+)PCl3
  2591 Phosphorus trichloride (Geo)PCl3
  2592 Phosphorus trichloridePCl3
  2593 Phosphorus oxychlorideOPCl3
  2594 Phosphorus oxychloride (Geo)OPCl3
  2595 Sulfur trichlorideSCl3
  2596 SOCl3OSCl3
  2597 Phosphorus thiochloride PSCl3
  2598 Thiophosphoryl chloride (Geo)PSCl3
  2599 B2Cl4B2Cl4
  2600 B2Cl4 (Geo)B2Cl4
  2601 B4Cl4 (Geo)B4Cl4
  2602 Carbon tetrachlorideCCl4
  2603 Carbon tetrachloride (Geo)CCl4
  2604 Tetrachloroethylene (Geo)C2Cl4
  2605 TetrachloroethyleneC2Cl4
  2606 1,1,2,2-TetrachloroethaneC2H2Cl4
  2607 1,2,2,2-TetrachloroethaneC2H2Cl4


DHf: -69.5 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 SYMMETRY PM7
Phosphorus thiochloride
 H=-69.5 HR=WHSMC03
  S     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  P     1.92408090  1    0.0000000  0    0.0000000  0     1     0     0
 Cl     1.91038974  1  115.4983044  1    0.0000000  0     2     1     0
 Cl     1.91038974  1  115.4983044  1  120.0000000  1     2     1     3
 Cl     1.91038974  1  115.4983044  1 -120.0000000  1     2     1     3
 
   3  1    4    5
   3  2    4    5