Accuracy

mg(ii)(h2o)5.ohr   1771 Mg(II)(H2O)5.OH (Geo)

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    #  Species Formula
  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.OHH11O6Mg
  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
  1781 Mg(II)O6(-) (GAPSEV)C12H9O9Mg


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
 <Mg-O(H2)> <><> <><><> <><><> <><><> <Mg-O(H)> GR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.11200900 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.17435219 +1   75.5270950 +1    0.0000000 +0     1     2     0
  O     2.14272952 +1   78.8715062 +1  128.9612890 +1     1     2     3
  O     2.15529636 +1   76.3414355 +1   78.2293675 +1     1     2     4
  O     2.16442394 +1  129.1345329 +1   56.0073317 +1     1     2     5
  O     1.98019700 +1  146.0366254 +1  117.8478848 +1     1     2     6
  H     0.98229105 +1  109.3758765 +1   22.3575046 +1     2     1     3
  H     0.98198426 +1  108.7893878 +1  113.7822052 +1     2     1     8
  H     0.91835283 +1  123.3460284 +1  103.8766572 +1     7     1     2
  H     0.97780134 +1  109.9750157 +1  -17.0448382 +1     4     1     2
  H     0.97388003 +1  114.1043298 +1 -117.9892075 +1     4     1    11
  H     1.03513375 +1   90.1199106 +1  160.3676893 +1     6     1     2
  H     0.97047719 +1  111.0699516 +1 -102.9682921 +1     6     1    13
  H     0.97421361 +1  108.8754974 +1   82.5941046 +1     3     1     2
  H     1.01838013 +1   93.2062699 +1  102.4740832 +1     3     1    15
  H     0.98623301 +1  106.1500977 +1  141.3935036 +1     5     1     2
  H     0.97878631 +1  108.3254940 +1  111.3368416 +1     5     1    17