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

magnesium oxide   1749 Magnesium oxide

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    #  Species Formula
  1739 Diamino magnesiumH4N2Mg
  1740 Diamino magnesium (Geo)H4N2Mg
  1741 Magnesium cyanideC2N2Mg
  1742 Magnesium cyanide (Geo)C2N2Mg
  1743 Mg(II)C2N2 (MEENMG) (Geo)C8H22N2Mg
  1744 Mg(II)C2N2 (MEENMG)C8H22N2Mg
  1745 Mg(II)N4C(+) (FIZREM) (Geo)C15H35N4Mg
  1746 Mg(II)N4C(+) (FIZREM)C15H35N4Mg
  1747 Mg(II)N6(2+) (DOTZIV) (Geo)C12H18N6Mg
  1748 Mg(II)N6(2+) (DOTZIV)C12H18N6Mg
  1749 Magnesium oxide OMg
  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-hydroxideH2O2Mg
  1757 Magnesium di-hydroxide (Geo)H2O2Mg
  1758 Mg(II)C2O2 (DOBXIB) (Geo)C10H22O2Mg
  1759 Mg(II)C2O2 (DOBXIB)C10H22O2Mg


ΔHf: 34.0 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.
  
 GEO-OK PM7
Magnesium oxide
 H=34.0 HR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.52742350 +1    0.0000000 +0    0.0000000 +0     1     0     0