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

mg(ii)c2n2 (meenmg)   1744 Mg(II)C2N2 (MEENMG)

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    #  Species Formula
  1734 Dicyclopentadienyl magnesium (Geo)C10H10Mg
  1735 Amino magnesium hydrideH3NMg
  1736 MgHNH2 (Geo)H3NMg
  1737 Magnesium hydride cyanideHCNMg
  1738 Magnesium hydride cyanide (Geo)HCNMg
  1739 Diamino magnesiumH4N2Mg
  1740 Diamino magnesium (Geo)H4N2Mg
  1741 Magnesium cyanideC2N2Mg
  1742 Magnesium cyanide (Geo)C2N2Mg
  1743 Mg(II)C2N2 (MEENMG) (Geo)C8H22N2Mg
  1744 Mg(II)C2N2 (MEENMG) C8H22N2Mg
  1745 Mg(II)N4C(+) (FIZREM) (Geo)C15H35N4Mg
  1746 Mg(II)N4C(+) (FIZREM)C15H35N4Mg
  1747 Mg(II)N6(2+) (DOTZIV) (Geo)C12H18N6Mg
  1748 Mg(II)N6(2+) (DOTZIV)C12H18N6Mg
  1749 Magnesium oxideOMg
  1750 Magnesium oxide (Geo)OMg
  1751 Magnesium hydroxideHOMg
  1752 Magnesium hydride hydroxideH2OMg
  1753 Magnesium hydride hydroxide (Geo)H2OMg
  1754 Magnesium cyanide hydroxideHCNOMg


ΔHf: -16.6 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)C2N2 (MEENMG)
 H=-16.6 HR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     3.50711716 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     3.49161343 +1   63.5232821 +1    0.0000000 +0     1     2     0
  C     2.07242199 +1   98.3961470 +1  -91.0891144 +1     1     2     3
  C     1.47802166 +1  154.6917985 +1   80.3389874 +1     2     1     3
  C     1.47817945 +1   87.4734553 +1 -136.4025788 +1     3     1     2
  C     1.48270825 +1   73.2201339 +1 -104.5010517 +1     2     1     5
  C     1.48200025 +1   74.3278992 +1  112.6836369 +1     3     1     6
  C     2.07290467 +1   94.8691631 +1 -172.8109206 +1     1     2     4
  C     1.47848272 +1   89.5750566 +1 -111.9774653 +1     2     1     7
  C     1.47738330 +1  155.9042990 +1  107.4547436 +1     3     1     8
  H     1.07563013 +1  107.5789148 +1    5.4021397 +1     4     1     2
  H     1.07342800 +1  108.7549745 +1  121.0061875 +1     4     1    12
  H     1.07541972 +1  107.2995456 +1  119.9844957 +1     4     1    13
  H     1.10214123 +1  109.1276354 +1  -36.4818609 +1     5     2     1
  H     1.10272540 +1  109.0463690 +1  116.6187454 +1     5     2    15
  H     1.09987208 +1  114.4564272 +1  121.6714840 +1     5     2    16
  H     1.10708006 +1  109.0774851 +1   12.6512622 +1     6     3     1
  H     1.10230738 +1  108.9746867 +1 -116.7635286 +1     6     3    18
  H     1.09946042 +1  114.6445713 +1 -121.6893631 +1     6     3    19
  H     1.10670545 +1  113.5195349 +1 -163.0178030 +1     7     2     1
  H     1.11898457 +1  109.5643993 +1  118.3815641 +1     7     2    21
  H     1.11803885 +1  109.9458416 +1  -46.1297189 +1     8     3     1
  H     1.10704757 +1  113.4262538 +1 -118.5920588 +1     8     3    23
  H     1.07446472 +1  107.7511237 +1  143.1673392 +1     9     1     2
  H     1.07646660 +1  106.5407651 +1  119.4412128 +1     9     1    25
  H     1.07302276 +1  109.3078817 +1  119.9761730 +1     9     1    26
  H     1.10216620 +1  109.2118918 +1 -107.8397264 +1    10     2     1
  H     1.10655275 +1  108.8300222 +1  116.6473981 +1    10     2    28
  H     1.09944361 +1  114.5752995 +1  121.5656706 +1    10     2    29
  H     1.10003088 +1  114.4599610 +1 -163.5568023 +1    11     3     1
  H     1.10315447 +1  108.8824163 +1 -121.4931920 +1    11     3    31
  H     1.10181248 +1  109.2944932 +1 -116.6972130 +1    11     3    32