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

mg(ii)(h2o)6r   1775 Mg(++)(H2O)6 (Geo)

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    #  Species Formula
  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
  1782 Mg(II)O6(-) (GAPSEV) (Geo)C12H9O9Mg
  1783 Mg(II)O6(-) (GAPSEV)C12H9O9Mg
  1784 Mg(II)O6 (DAVGAI) (Geo)C10H10N4O10Mg
  1785 Mg(II)O6 (DAVGAI)C10H10N4O10Mg


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=2 PM7
Mg(++)(H2O)6
 <Mg-O> GR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.13740400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.09908061 +1   90.2522186 +1    0.0000000 +0     1     2     0
  O     2.09988469 +1   88.8066421 +1   89.5483150 +1     1     2     3
  O     2.09929287 +1   90.3414891 +1   89.5664386 +1     1     2     4
  O     2.09827348 +1   88.9349110 +1   90.2294039 +1     1     2     5
  O     2.09620155 +1   90.3782800 +1  179.8799404 +1     1     6     2
  H     0.96101393 +1  125.4929225 +1    0.1606602 +1     2     1     3
  H     0.96097001 +1  125.4845159 +1  179.8272549 +1     2     1     8
  H     0.96115768 +1  125.6086307 +1  -89.8182174 +1     7     1     4
  H     0.96112480 +1  125.4812396 +1  179.0985945 +1     7     1    10
  H     0.96117350 +1  125.2437743 +1    0.0430688 +1     4     1     2
  H     0.96134651 +1  125.9553993 +1  179.9857550 +1     4     1    12
  H     0.96133047 +1  125.7437552 +1  179.9063691 +1     6     1     2
  H     0.96111135 +1  125.4081650 +1 -179.8957166 +1     6     1    14
  H     0.96122192 +1  125.5039303 +1   89.9046151 +1     3     1     2
  H     0.96127543 +1  125.6471787 +1 -179.3371655 +1     3     1    16
  H     0.96121006 +1  125.6380200 +1   89.8461398 +1     5     1     2
  H     0.96118480 +1  125.5155575 +1 -179.2409862 +1     5     1    18