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

mg(ii)o6 (besxon)   1787 Mg(II)O6 (BESXON)

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    #  Species Formula
  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
  1786 Mg(II)O6 (BESXON) (Geo)C8H14O12Mg
  1787 Mg(II)O6 (BESXON) C8H14O12Mg
  1788 Magnesium fluorideFMg
  1789 Magnesium fluoride (Geo)FMg
  1790 Magnesium hydride fluorideHFMg
  1791 Magnesium hydride fluoride (Geo)HFMg
  1792 Methyl magnesium fluorideCH3FMg
  1793 Methyl magnesium fluoride (Geo)CH3FMg
  1794 Magnesium difluorideF2Mg
  1795 Magnesium difluoride (Geo)F2Mg
  1796 Magnesium, dimer (Geo)Mg2
  1797 Magnesium difluoride, dimerF4Mg2


ΔHf: -651.1 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 (BESXON)
 H=-651.1 HR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.13126135 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.91272940 +1   80.9163809 +1    0.0000000 +0     1     2     0
  O     2.24670937 +1  129.4529262 +1  -66.9554628 +1     1     2     3
  H     2.07679565 +1  109.4994811 +1   43.8910394 +1     2     1     3
  H     0.99676769 +1  111.5962596 +1   91.2754783 +1     2     1     5
  C     2.20958920 +1   67.6674866 +1 -134.4371639 +1     5     2     1
  H     1.12048346 +1  127.1823230 +1   99.1684300 +1     7     5     2
  H     1.11197383 +1   84.2479903 +1  104.1403759 +1     7     5     8
  C     1.49494352 +1  114.6889737 +1  110.6288941 +1     7     5     9
  O     1.20969538 +1  127.4400540 +1  145.3584636 +1    10     7     5
  O     1.34861204 +1  111.1489569 +1 -179.4609100 +1    10     7    11
  H     1.00256812 +1  114.2229892 +1  164.0611129 +1    12    10     7
  O     2.21327857 +1   79.2197757 +1  -56.7678805 +1     1     2     4
  H     0.98146939 +1  100.8691160 +1  109.8766458 +1    14     1     2
  H     0.99278308 +1   95.6842960 +1  103.7746275 +1    14     1    15
  O     1.95485104 +1  136.2728006 +1  -58.7822676 +1     1     2    14
  C     1.28324916 +1  117.3554403 +1  -60.8168343 +1    17     1     2
  O     1.20662868 +1  126.2594746 +1 -167.9579167 +1    18    17     1
  C     1.56785706 +1  113.6922607 +1 -175.7104063 +1    18    17    19
  H     1.10907333 +1  112.5108751 +1 -157.0448315 +1    20    18    17
  O     1.42471307 +1  103.2891305 +1  114.7668243 +1    20    18    21
  H     0.98021475 +1   98.5330091 +1 -167.7268481 +1     4     1     2
  H     0.98049711 +1   98.5658961 +1 -107.2334674 +1     4     1    23
  H     0.99559323 +1  110.4015326 +1  171.0767314 +1    22    20    18
  C     1.52980282 +1  108.1539931 +1  119.0647048 +1    20    18    22
  H     1.12302184 +1  110.5907477 +1  -33.3261567 +1    26    20    18
  H     1.11800291 +1  109.4260136 +1  114.1823794 +1    26    20    27
  C     1.49421208 +1  114.8426898 +1  123.6201655 +1    26    20    28
  O     1.20943421 +1  125.5850853 +1  156.5268697 +1    29    26    20
  O     1.34608631 +1  113.1325692 +1 -178.7128214 +1    29    26    30
  H     1.01288875 +1  114.0540277 +1  165.9911748 +1    31    29    26
  O     2.21757044 +1  142.5139716 +1   21.5529803 +1     3     1     2
  C     1.20936532 +1   27.7113850 +1  -29.1759321 +1    33     3     1
  C     1.10907897 +1   40.7259536 +1   37.2182454 +1     5     2     7