PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

aluminum hydroxide, cation   1817 Aluminum hydroxide, cation

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    #  Species Formula
  1807 TriethylaluminumC6H15Al
  1808 Aluminum nitrideNAl
  1809 Al(III)C3N (LINZOX) (Geo)C3H12NAl
  1810 Al(III)C3N (LINZOX)C3H12NAl
  1811 Al(III)C3N (ANTMAL) (Geo)C5H12NAl
  1812 Al(III)C3N (ANTMAL)C5H12NAl
  1813 Aluminum oxide, cationOAl
  1814 AlOOAl
  1815 AlO (Geo)OAl
  1816 Aluminum oxide, anionOAl
  1817 Aluminum hydroxide, cation HOAl
  1818 Aluminum hydroxideHOAl
  1819 H-Al=OHOAl
  1820 Aluminum hydroxide, anionHOAl
  1821 Aluminum dioxideO2Al
  1822 Aluminum dioxide, anionO2Al
  1823 Aluminum oxide hydroxideHO2Al
  1824 Al(III)C3O(-) (AACMAL) (Geo)C5H12O2Al
  1825 Al(III)C3O(-) (AACMAL)C5H12O2Al
  1826 Al(III)(H2O)4(OH)2H10O6Al
  1827 Al(III)(H2O)4(OH)2 (Geo)H10O6Al


ΔHf: 171.0 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 CHARGE=1 PM7
Aluminum hydroxide, cation
 H=171 HR=PW91D
 Al     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.58218053 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     0.94908967 +1  179.9948677 +1  180.0000000 +0     2     1     0