Accuracy

mg(ii)o6 (felguy)   1777 Mg(II)O6 (FELGUY)

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    #  Species Formula
  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
  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


ΔHf: -527.7 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.
  
 PM7
Mg(II)O6 (FELGUY)
 H=-527.7 HR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.18053661 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.96822975 +1   83.6995269 +1    0.0000000 +0     1     2     0
  O     2.20328692 +1   93.6486819 +1 -177.7684835 +1     3     1     2
  C     1.25285968 +1   29.1019498 +1  171.2565307 +1     4     3     1
  C     1.49700196 +1  120.5818779 +1  178.8159127 +1     5     4     3
  H     2.65343770 +1  121.8309204 +1   84.0693785 +1     1     2     3
  H     1.58490454 +1   68.9010196 +1 -138.0035191 +1     7     1     2
  H     0.97413095 +1  101.6369009 +1   56.4451512 +1     2     1     3
  H     0.99317173 +1   98.3844411 +1  107.4110429 +1     2     1     9
  H     1.09926607 +1  111.7250110 +1 -179.2923727 +1     6     5     4
  H     1.09968083 +1  110.4907377 +1 -120.6971662 +1     6     5    11
  H     1.09921517 +1  110.6709756 +1 -118.3824635 +1     6     5    12
  O     2.15947156 +1   74.2471677 +1  167.2645643 +1     1     2     7
  O     2.22700522 +1   74.2802634 +1 -172.2849309 +1     1    14     2
  O     1.97237063 +1   86.8725859 +1 -152.6178144 +1     1     2     9
  H     0.96984422 +1  105.9778260 +1 -176.5391102 +1    14     1     2
  H     1.01903942 +1   95.6663367 +1  108.6768503 +1    14     1    17
  H     0.97508373 +1  101.6327306 +1  -33.2922462 +1    15     1    16
  H     1.00764773 +1   93.1034036 +1 -104.6355196 +1    15     1    19
  C     1.26516779 +1  120.9488224 +1   50.5672053 +1    16     1     2
  O     1.25310837 +1  122.5356231 +1   -1.3901946 +1    21    16     1
  C     1.49802974 +1  117.0144189 +1  179.9047694 +1    21    16    22
  H     1.09931196 +1  110.9658793 +1   49.2844494 +1    23    21    16
  H     1.09888485 +1  111.3059295 +1  121.0491353 +1    23    21    24
  H     1.09911141 +1  110.5254415 +1  120.2627774 +1    23    21    25
  O     0.96154429 +1   53.8263487 +1  -38.9547771 +1     7     1     8