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

magnesium di-hydroxide   1756 Magnesium di-hydroxide

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    #  Species Formula
  1746 Mg(II)N4C(+) (FIZREM)C15H35N4Mg
  1747 Mg(II)N6(2+) (DOTZIV) (Geo)C12H18N6Mg
  1748 Mg(II)N6(2+) (DOTZIV)C12H18N6Mg
  1749 Magnesium oxideOMg
  1750 Magnesium oxide (Geo)OMg
  1751 Magnesium hydroxideHOMg
  1752 Magnesium hydride hydroxideH2OMg
  1753 Magnesium hydride hydroxide (Geo)H2OMg
  1754 Magnesium cyanide hydroxideHCNOMg
  1755 Magnesium cyanide hydroxide (Geo)HCNOMg
  1756 Magnesium di-hydroxide H2O2Mg
  1757 Magnesium di-hydroxide (Geo)H2O2Mg
  1758 Mg(II)C2O2 (DOBXIB) (Geo)C10H22O2Mg
  1759 Mg(II)C2O2 (DOBXIB)C10H22O2Mg
  1760 Mg(II)(Cp)CO2 (HUXSAU) (Geo)C18H26O2Mg
  1761 Mg(II)(Cp)CO2 (HUXSAU)C18H26O2Mg
  1762 MgHNO2 (Geo)HNO2Mg
  1763 MgH(ONO) (Geo)HNO2Mg
  1764 Mg(II)O4(2+) (INSMGC) (Geo)H8O4Mg
  1765 Mg(II)O4(2+) (INSMGC)H8O4Mg
  1766 Magnesium di-acetylacetonateC10H14O4Mg


ΔHf: -113.8 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.
  
 GEO-OK PM7
Magnesium di-hydroxide
 H=-113.8 HR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.71612051 +1    0.0000000 +0    0.0000000 +0     1     0     0
 XX     1.00000000 +0   90.0000000 +0    0.0000000 +0     1     2     0
  H     0.86438471 +1  179.5987791 +1    0.0000000 +0     2     1     3
  O     1.71612051 +1  179.6643787 +1    0.0577618 +1     1     2     3
  H     0.86438444 +1  179.6257457 +1    0.1197607 +1     5     1     3