Accuracy

hexachloro-1,3,5,2,4,6-triazatriphosphorine   1822 Hexachloro-1,3,5,2,4,6-triazatriphosphorine

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  1812 2,3,5,6-Tetrachloro-1,4-benzoquinone (Geo)C6O2Cl4
  1813 SOCl4OSCl4
  1814 PentachloroethaneHC2Cl5
  1815 PentachlorobenzeneHC6Cl5
  1816 PentachlorophenolHC6OCl5
  1817 Hexachloroethane (Geo)C2Cl6
  1818 HexachloroethaneC2Cl6
  1819 Hexachlorobenzene (Geo)C6Cl6
  1820 HexachlorobenzeneC6Cl6
  1821 gamma HexachlorocyclohexaneC6H6Cl6
  1822 Hexachloro-1,3,5,2,4,6-triazatriphosphorine N3P3Cl6
  1823 Hydrogen bromide, cationHBr
  1824 Hydrogen bromide (Geo)HBr
  1825 Hydrogen bromideHBr
  1826 BromomethaneCH3Br
  1827 Bromomethane (Geo)CH3Br
  1828 BromoacetyleneHC2Br
  1829 Bromoacetylene (Geo)HC2Br
  1830 BromoethyleneC2H3Br
  1831 BromoethaneC2H5Br
  1832 3-BromopropeneC3H5Br


ΔHf: -175.9 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  

Hexachloro-1,3,5,2,4,6-triazatriphosphorine
 H=-175.9 HR=WHSMC03
  P     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.67030479 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.66977606 +1  119.0703525 +1    0.0000000 +0     1     2     0
  P     1.67025702 +1  120.9492776 +1   -0.3054535 +1     3     1     2
  P     1.67052000 +1  120.9163553 +1    0.0037238 +1     2     1     3
  N     1.67005816 +1  119.0606565 +1    0.1305863 +1     5     2     1
 Cl     1.83048154 +1  107.4145012 +1  121.9509778 +1     1     2     3
 Cl     1.83037288 +1  107.2359127 +1  115.8948016 +1     1     2     7
 Cl     1.83020702 +1  107.3530057 +1  122.0674539 +1     5     2     6
 Cl     1.83028454 +1  107.3198785 +1  115.8927695 +1     5     2     9
 Cl     1.82836811 +1  107.3223324 +1  122.5712839 +1     4     3     1
 Cl     1.83200662 +1  107.3537217 +1  115.8364526 +1     4     3    11