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

mg(ii)c2 (gimniz)   1732 Mg(II)C2 (GIMNIZ)

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    #  Species Formula
  1722 Magnesium hydride (MgH2)H2Mg
  1723 Magnesium hydride (Geo)H2Mg
  1724 Methyl magnesium hydrideCH4Mg
  1725 Methyl magnesium hydride (Geo)CH4Mg
  1726 MgH(CCH)C2H2Mg
  1727 MgH(CCH) (Geo)C2H2Mg
  1728 MgH(CH=CH2)C2H4Mg
  1729 DimethylmagnesiumC2H6Mg
  1730 Dimethylmagnesium (Geo)C2H6Mg
  1731 Mg(II)C2 (GIMNIZ) (Geo)C4H10Mg
  1732 Mg(II)C2 (GIMNIZ) C4H10Mg
  1733 Dicyclopentadienyl magnesiumC10H10Mg
  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


ΔHf: 8.2 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)C2 (GIMNIZ)
 H=8.2 HR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.06499043 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.51337806 +1  109.0483544 +1    0.0000000 +0     2     1     0
  H     1.08802722 +1  107.1596468 +1  121.9442305 +1     2     1     3
  H     1.08770229 +1  107.2246118 +1  115.9755266 +1     2     1     4
  H     1.09933447 +1  110.8794084 +1 -179.7957983 +1     3     2     1
  H     1.09631873 +1  112.0921746 +1  119.0693118 +1     3     2     6
  H     1.09620347 +1  112.0903002 +1  121.8026150 +1     3     2     7
  C     2.06516216 +1  150.5198384 +1 -179.8814634 +1     1     3     2
  C     1.51318775 +1  109.1338572 +1   74.3670907 +1     9     1     5
  H     1.08801667 +1  107.1637968 +1 -121.9822584 +1     9     1    10
  H     1.08778575 +1  107.1768494 +1 -115.9868185 +1     9     1    11
  H     1.09934141 +1  110.8809277 +1  179.7428608 +1    10     9     1
  H     1.09633800 +1  112.1032697 +1 -119.0752804 +1    10     9    13
  H     1.09617647 +1  112.0944553 +1 -121.7976159 +1    10     9    14