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

mg(ii)(h2o)4(oh)2r   1771 Mg(OH)2.4(H2O) (Geo)

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    #  Species Formula
  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
  1767 Magnesium di-acetylacetonate (Geo)C10H14O4Mg
  1768 MgN3O2C16H11N5O4Mg
  1769 MgN3O2 (Geo)C16H11N5O4Mg
  1770 Mg(OH)2.4(H2O)H10O6Mg
  1771 Mg(OH)2.4(H2O) (Geo) H10O6Mg
  1772 Mg(II)(H2O)5.OHH11O6Mg
  1773 Mg(II)(H2O)5.OH (Geo)H11O6Mg
  1774 Mg(++)(H2O)6H12O6Mg
  1775 Mg(++)(H2O)6 (Geo)H12O6Mg
  1776 Mg(II)O6 (DACAMG) (Geo)C10H18O6Mg
  1777 Mg(II)O6 (DACAMG)C10H18O6Mg
  1778 Mg(II)O6 (FELGUY) (Geo)C4H14O8Mg
  1779 Mg(II)O6 (FELGUY)C4H14O8Mg
  1780 Magnesium EDTA (=) (Geo)C10H12N2O8Mg
  1781 Magnesium EDTA (=)C10H12N2O8Mg


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.
  
 PM7
Mg(OH)2.4(H2O)
 <Mg-O(H)> <Mg-O(H2)> GR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.01507900 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.21613300 +1  105.7099902 +1    0.0000000 +0     1     2     0
  O     2.29135373 +1  108.9107021 +1  104.8816685 +1     1     2     3
  O     2.20791132 +1   71.7103714 +1   69.5836784 +1     1     2     4
  O     2.26391622 +1   68.2266559 +1  117.4796982 +1     1     2     5
  O     1.91051843 +1  111.6982081 +1  179.7267827 +1     1     6     2
  H     0.92165336 +1  115.2722656 +1  -51.6642106 +1     2     1     3
  H     0.92108290 +1  118.6928692 +1   55.0401643 +1     7     1     5
  H     0.96692595 +1  101.3941015 +1  -91.7259372 +1     4     1     2
  H     1.01560864 +1   85.0825992 +1 -101.8389429 +1     4     1    10
  H     0.96156922 +1  104.8209109 +1  -92.2586956 +1     6     1     2
  H     1.04362675 +1   83.3931159 +1  101.5915804 +1     6     1    12
  H     1.00208160 +1   90.9538861 +1 -178.2158445 +1     3     1     2
  H     0.97679529 +1   99.2422384 +1  104.0394615 +1     3     1    14
  H     1.01113559 +1   90.3561245 +1    1.9865358 +1     5     1     2
  H     0.97457220 +1  100.0824719 +1 -103.6624113 +1     5     1    16