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

mg(ii)o6 (dacamg)   1777 Mg(II)O6 (DACAMG)

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    #  Species Formula
  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
  1786 Mg(II)O6 (BESXON) (Geo)C8H14O12Mg
  1787 Mg(II)O6 (BESXON)C8H14O12Mg


ΔHf: -388.3 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 (DACAMG)
 H=-388.3 HR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.98163912 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.93855778 +1   94.7632324 +1    0.0000000 +0     1     2     0
  O     3.13794265 +1   58.0167406 +1  166.9486677 +1     1     2     3
  C     2.31655353 +1  160.0527039 +1    6.0068848 +1     3     1     2
  H     3.03907498 +1  151.2666673 +1   31.7970646 +1     2     1     3
  H     1.77205486 +1   53.1271914 +1  178.6669201 +1     6     2     1
  H     1.77426894 +1   74.4241897 +1   63.9979030 +1     6     2     7
  H     1.10077261 +1   81.6547490 +1  175.1172159 +1     5     3     1
  H     1.09715462 +1  123.4445965 +1 -105.8062889 +1     5     3     9
  H     1.09763477 +1  122.2402092 +1 -148.5026391 +1     5     3    10
  H     0.97925474 +1   64.5445365 +1   -1.8910608 +1     4     1     2
  H     0.97520536 +1   59.4242924 +1 -121.7663533 +1     4     1    12
  O     1.97973682 +1   58.3043364 +1  118.3735871 +1     1     4     2
  O     1.99542488 +1  159.7686917 +1   66.8652430 +1     1     2     7
  O     2.16488966 +1   81.8202192 +1    1.5066553 +1     1     2    15
  C     1.25983104 +1  122.2342376 +1  -73.5570501 +1    14     1     3
  C     1.24995020 +1  121.1336155 +1 -134.9162915 +1    15     1     2
  H     0.97348941 +1  103.1091293 +1 -165.8262386 +1    16     1     2
  H     1.00194666 +1   97.2086322 +1  107.2079691 +1    16     1    19
  C     1.50347862 +1  114.1782094 +1  164.2886719 +1    17    14     1
  C     1.40506783 +1  125.6775797 +1   22.3882716 +1    18    15     1
  C     1.50465610 +1  114.8493314 +1  177.5719345 +1    18    15    22
  H     1.09731750 +1  111.4341540 +1  123.4549828 +1    21    17    14
  H     1.10057392 +1  111.5072812 +1 -120.5969461 +1    21    17    24
  H     1.09856545 +1  110.7721160 +1 -119.5541839 +1    21    17    25
  H     1.10064018 +1  111.3455855 +1   -0.8826468 +1    23    18    15
  H     1.09836637 +1  110.6458878 +1  119.3787571 +1    23    18    27
  H     1.09656217 +1  111.5191625 +1  119.9467865 +1    23    18    28
  H     2.72126752 +1   74.8738406 +1   75.9131616 +1    11     5     3
  H     1.08383552 +1  117.3443692 +1  179.5721849 +1    22    18    15
  C     1.09734332 +1   36.1173276 +1  -18.1188965 +1     8     6     2
  C     1.25369505 +1  123.3484590 +1  -35.5891654 +1     2     1     6
  C     1.08478906 +1   84.4495448 +1  -51.7232213 +1    30    11     5
  C     1.25295608 +1  123.6189976 +1   -2.8260802 +1     3     1     5