PM7 Accuracy

phosphorus pentachloride   2638 Phosphorus pentachloride

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    #  Species Formula
  2628 Si2Cl6H2N (GILQEX) (Geo)CH5NSi2Cl4
  2629 Si2Cl6H2N (GILQEX)CH5NSi2Cl4
  2630 Phosphorus tetrachloridePCl4
  2631 Sulfur tetrachlorideSCl4
  2632 SOCl4OSCl4
  2633 PentachloroethaneHC2Cl5
  2634 PentachlorobenzeneHC6Cl5
  2635 PentachlorophenolHC6OCl5
  2636 Silicon pentachloride, anionSiCl5
  2637 Phosphorus pentachloride (Geo)PCl5
  2638 Phosphorus pentachloride PCl5
  2639 Sulfur pentachlorideSCl5
  2640 Be(II)2Cl6(2-) (EQUNUZ) (Geo)Be2Cl6
  2641 Be(II)2Cl6(2-) (EQUNUZ)Be2Cl6
  2642 Hexachloroethane (Geo)C2Cl6
  2643 HexachloroethaneC2Cl6
  2644 Hexachlorobenzene (Geo)C6Cl6
  2645 HexachlorobenzeneC6Cl6
  2646 gamma HexachlorocyclohexaneC6H6Cl6
  2647 Al2Cl6 (Geo)Al2Cl6
  2648 Aluminum trichloride dimerAl2Cl6


DHf: -86.1 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.: 10.8 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 pentachloride
 H=-86.1,1 I=10.8 IR=LLNBS82 HR=JANAF86 87.11 CP=26.96
  P     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
 Cl     2.15100002  1    0.0000000  0    0.0000000  0     1     0     0
 Cl     1.88446949  1   90.0000000  1    0.0000000  0     1     2     0
 Cl     2.15100002  1   90.0000000  1  180.0000000  1     1     3     2
 Cl     1.88446949  1  120.0000000  1   90.0000000  1     1     3     2
 Cl     1.88446949  1  120.0000000  1  -90.0000000  1     1     3     2
 
   2  1    4
   3  1    5    6