Accuracy
hexachloro-1,3,5,2,4,6-triazatriphosphorine
1822 Hexachloro-1,3,5,2,4,6-triazatriphosphorine
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Geometry predicted using PM7
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# | Species | Formula |
1812 | 2,3,5,6-Tetrachloro-1,4-benzoquinone (Geo) | C6O2Cl4 | |
1813 | SOCl4 | OSCl4 | |
1814 | Pentachloroethane | HC2Cl5 | |
1815 | Pentachlorobenzene | HC6Cl5 | |
1816 | Pentachlorophenol | HC6OCl5 | |
1817 | Hexachloroethane (Geo) | C2Cl6 | |
1818 | Hexachloroethane | C2Cl6 | |
1819 | Hexachlorobenzene (Geo) | C6Cl6 | |
1820 | Hexachlorobenzene | C6Cl6 | |
1821 | gamma Hexachlorocyclohexane | C6H6Cl6 | |
1822 | Hexachloro-1,3,5,2,4,6-triazatriphosphorine | N3P3Cl6 | |
1823 | Hydrogen bromide, cation | HBr | |
1824 | Hydrogen bromide (Geo) | HBr | |
1825 | Hydrogen bromide | HBr | |
1826 | Bromomethane | CH3Br | |
1827 | Bromomethane (Geo) | CH3Br | |
1828 | Bromoacetylene | HC2Br | |
1829 | Bromoacetylene (Geo) | HC2Br | |
1830 | Bromoethylene | C2H3Br | |
1831 | Bromoethane | C2H5Br | |
1832 | 3-Bromopropene | C3H5Br | |
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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