Accuracy

mg(ii)(h2o)5.oh   1770 Mg(II)(H2O)5.OH

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    #  Species Formula
  1760 MgHNO2 (Geo)HNO2Mg
  1761 MgH(ONO) (Geo)HNO2Mg
  1762 Mg(II)O4(2+) (INSMGC) (Geo)H8O4Mg
  1763 Mg(II)O4(2+) (INSMGC)H8O4Mg
  1764 Magnesium di-acetylacetonateC10H14O4Mg
  1765 Magnesium di-acetylacetonate (Geo)C10H14O4Mg
  1766 MgN3O2C16H11N5O4Mg
  1767 MgN3O2 (Geo)C16H11N5O4Mg
  1768 Mg(OH)2.4(H2O)H10O6Mg
  1769 Mg(OH)2.4(H2O) (Geo)H10O6Mg
  1770 Mg(II)(H2O)5.OH H11O6Mg
  1771 Mg(II)(H2O)5.OH (Geo)H11O6Mg
  1772 Mg(++)(H2O)6H12O6Mg
  1773 Mg(++)(H2O)6 (Geo)H12O6Mg
  1774 Mg(II)O6 (DACAMG) (Geo)C10H18O6Mg
  1775 Mg(II)O6 (DACAMG)C10H18O6Mg
  1776 Mg(II)O6 (FELGUY) (Geo)C4H14O8Mg
  1777 Mg(II)O6 (FELGUY)C4H14O8Mg
  1778 Magnesium EDTA (=) (Geo)C10H12N2O8Mg
  1779 Magnesium EDTA (=)C10H12N2O8Mg
  1780 Mg(II)O6(-) (GAPSEV) (Geo)C12H9O9Mg


ΔHf: -258.7 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
Mg(II)(H2O)5.OH
 H=-258.7 HR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.16106525 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.20660171 +1   73.8721013 +1    0.0000000 +0     1     2     0
  O     2.15098151 +1   76.2982735 +1  132.5895349 +1     1     2     3
  O     2.15910995 +1   75.9482512 +1   78.4194101 +1     1     2     4
  O     2.19299325 +1  124.8632480 +1   57.9409773 +1     1     2     5
  O     1.83189197 +1  145.7193177 +1  120.1121947 +1     1     2     6
  H     0.98028749 +1  108.8605190 +1   21.2549009 +1     2     1     3
  H     0.98069499 +1  107.1974049 +1  112.4191015 +1     2     1     8
  H     0.91797395 +1  127.5903131 +1  105.8412632 +1     7     1     2
  H     0.97873539 +1  109.2493713 +1  -16.1409576 +1     4     1     2
  H     0.97439100 +1  112.4314263 +1 -116.0026772 +1     4     1    11
  H     1.00745882 +1   93.0582801 +1  163.3465534 +1     6     1     2
  H     0.97115916 +1  110.8662549 +1 -104.9680008 +1     6     1    13
  H     0.97701495 +1  106.0367027 +1   83.4071983 +1     3     1     2
  H     1.00413577 +1   93.7712628 +1  102.2097670 +1     3     1    15
  H     0.98412367 +1  106.9497038 +1  141.1996509 +1     5     1     2
  H     0.97826431 +1  108.2280691 +1  111.9211781 +1     5     1    17