Accuracy

mg(ii)c2 (gimniz)   1730 Mg(II)C2 (GIMNIZ)

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    #  Species Formula
  1720 Magnesium hydride (MgH2)H2Mg
  1721 Magnesium hydride (Geo)H2Mg
  1722 Methyl magnesium hydrideCH4Mg
  1723 Methyl magnesium hydride (Geo)CH4Mg
  1724 MgH(CCH)C2H2Mg
  1725 MgH(CCH) (Geo)C2H2Mg
  1726 MgH(CH=CH2)C2H4Mg
  1727 DimethylmagnesiumC2H6Mg
  1728 Dimethylmagnesium (Geo)C2H6Mg
  1729 Mg(II)C2 (GIMNIZ) (Geo)C4H10Mg
  1730 Mg(II)C2 (GIMNIZ) C4H10Mg
  1731 Dicyclopentadienyl magnesiumC10H10Mg
  1732 Dicyclopentadienyl magnesium (Geo)C10H10Mg
  1733 Amino magnesium hydrideH3NMg
  1734 MgHNH2 (Geo)H3NMg
  1735 Magnesium hydride cyanideHCNMg
  1736 Magnesium hydride cyanide (Geo)HCNMg
  1737 Diamino magnesiumH4N2Mg
  1738 Diamino magnesium (Geo)H4N2Mg
  1739 Magnesium cyanideC2N2Mg
  1740 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