Accuracy

mg(ii)(edta)(=)   1779 Magnesium EDTA (=)

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    #  Species Formula
  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
  1782 Mg(II)O6 (DAVGAI) (Geo)C10H10N4O10Mg
  1783 Mg(II)O6 (DAVGAI)C10H10N4O10Mg
  1784 Mg(II)O6 (BESXON) (Geo)C8H14O12Mg
  1785 Mg(II)O6 (BESXON)C8H14O12Mg
  1786 Magnesium fluorideFMg
  1787 Magnesium fluoride (Geo)FMg
  1788 Magnesium hydride fluorideHFMg
  1789 Magnesium hydride fluoride (Geo)HFMg


ΔHf: -467.8 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=-2 PM7
Magnesium EDTA (=)
 H=-467.8 HR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.66905946 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.67347699 +1   65.8848566 +1    0.0000000 +0     1     2     0
  O     1.99157633 +1   75.6471815 +1  167.5455196 +1     1     2     3
  O     2.06332620 +1   82.7396834 +1  -95.3908469 +1     1     2     4
  O     2.06263588 +1   70.9269235 +1 -162.8221104 +1     1     2     5
  C     1.46635007 +1   91.1178623 +1 -134.3216679 +1     3     1     2
  C     1.46660727 +1  113.6937349 +1  118.2684144 +1     3     1     7
  C     1.46683648 +1  113.8272242 +1  -16.0018107 +1     2     1     3
  C     1.56566900 +1  109.8964793 +1  -46.1349241 +1     7     3     1
  O     1.23176266 +1  115.7939221 +1 -131.5274299 +1    10     7     3
  C     1.25335334 +1  125.9989792 +1  -64.1608049 +1     5     1     2
  O     1.23557758 +1  125.2119573 +1  157.4680276 +1    12     5     1
  H     1.10768332 +1  113.2916873 +1  165.9873139 +1     8     3     1
  H     1.10761312 +1  113.3052069 +1  166.0612729 +1     9     2     1
  C     1.26289655 +1  119.7478931 +1  -11.7854376 +1     4     1     2
  O     1.23192556 +1  124.3190474 +1  169.7232257 +1    16     4     1
  C     1.25355115 +1  125.7269140 +1    3.3289874 +1     6     1     2
  O     1.23545824 +1  125.2634511 +1  156.5386985 +1    18     6     1
  H     1.11501503 +1  109.0433717 +1  119.7093041 +1     8     3    14
  H     1.11507437 +1  108.9999604 +1  119.6630543 +1     9     2    15
  C     1.46182666 +1  102.9237698 +1  125.5234944 +1     2     1     9
  C     1.46154521 +1  102.9926506 +1  125.5329925 +1     3     1     8
  C     1.46658046 +1   91.2903479 +1  116.1462183 +1     2     1    22
  O     1.26278551 +1  119.7801668 +1 -177.1232618 +1    10     7    11
  H     1.10920785 +1  111.4980703 +1   84.4068471 +1    22     2     1
  H     1.10299023 +1  114.0669387 +1  121.7328968 +1    22     2    26
  H     1.10306141 +1  114.0575826 +1 -153.5655849 +1    23     3     1
  H     1.10921267 +1  111.4977366 +1 -121.7503245 +1    23     3    28
  H     1.12030137 +1  108.6987486 +1   69.6905218 +1    24     2     1
  H     1.10281205 +1  114.2198840 +1  121.4121026 +1    24     2    30
  H     1.12035090 +1  108.7094161 +1  115.5597566 +1     7     3    10
  H     1.10287619 +1  114.1995694 +1  121.4007827 +1     7     3    32