Accuracy

phosphorus oxychloride   2590 Phosphorus oxychloride

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    #  Species Formula
  2580 Al(III)Cl3N (CMAMAL01) (Geo)C3H9NAlCl3
  2581 Al(III)Cl3N (CMAMAL01)C3H9NAlCl3
  2582 Trimethyamine-Aluminum trichloride (Geo)C3H9NAlCl3
  2583 TrichlorosilylSiCl3
  2584 TrichlorosilaneHSiCl3
  2585 Trichloromethylsilane (Geo)CH3SiCl3
  2586 TrichloromethylsilaneCH3SiCl3
  2587 Phosphorus trichloride (+)PCl3
  2588 Phosphorus trichloride (Geo)PCl3
  2589 Phosphorus trichloridePCl3
  2590 Phosphorus oxychloride OPCl3
  2591 Phosphorus oxychloride (Geo)OPCl3
  2592 Sulfur trichlorideSCl3
  2593 SOCl3OSCl3
  2594 Phosphorus thiochloridePSCl3
  2595 Thiophosphoryl chloride (Geo)PSCl3
  2596 B2Cl4B2Cl4
  2597 B2Cl4 (Geo)B2Cl4
  2598 B4Cl4 (Geo)B4Cl4
  2599 Carbon tetrachlorideCCl4
  2600 Carbon tetrachloride (Geo)CCl4


ΔHf: -132.8 kcal/mol,     REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
I.P.: 11.8 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 oxychloride
 H=-132.8 HR=WEPS1982 I=11.85 IR=LLNBS82 S=77.80 CP=20.29
 
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  P     1.46494706 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     1.87708589 +1  112.4559057 +1    0.0000000 +0     2     1     0
 Cl     1.87708589 +1  112.4559057 +1  120.0000000 +1     2     1     3
 Cl     1.87708589 +1  112.4559057 +1 -120.0000000 +1     2     1     3
 
   3  1    4    5
   3  2    4    5