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

aluminum dioxide   1821 Aluminum dioxide

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    #  Species Formula
  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, cationHOAl
  1818 Aluminum hydroxideHOAl
  1819 H-Al=OHOAl
  1820 Aluminum hydroxide, anionHOAl
  1821 Aluminum dioxide O2Al
  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
  1828 Al(III)(H2O)6H12O6Al
  1829 Al(III)(H2O)6 (Geo)H12O6Al
  1830 Aluminum (III) EDTA (Geo)C10H12N2O8Al
  1831 Aluminum (III) EDTAC10H12N2O8Al


ΔHf: -20.6 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).
  
 FIELD=(0.1,0.2,0.1) OPEN(1,1) PULAY PM7
Aluminum dioxide
 H=-20.6 HR=JANAF86
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Al     1.70482463 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.56943185 +1  175.4915940 +1    0.0000000 +0     2     1     0