Accuracy

mg(ii)n6(2plus) (dotziv)   1746 Mg(II)N6(2+) (DOTZIV)

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    #  Species Formula
  1736 Magnesium hydride cyanide (Geo)HCNMg
  1737 Diamino magnesiumH4N2Mg
  1738 Diamino magnesium (Geo)H4N2Mg
  1739 Magnesium cyanideC2N2Mg
  1740 Magnesium cyanide (Geo)C2N2Mg
  1741 Mg(II)C2N2 (MEENMG) (Geo)C8H22N2Mg
  1742 Mg(II)C2N2 (MEENMG)C8H22N2Mg
  1743 Mg(II)N4C(+) (FIZREM) (Geo)C15H35N4Mg
  1744 Mg(II)N4C(+) (FIZREM)C15H35N4Mg
  1745 Mg(II)N6(2+) (DOTZIV) (Geo)C12H18N6Mg
  1746 Mg(II)N6(2+) (DOTZIV) C12H18N6Mg
  1747 Magnesium oxideOMg
  1748 Magnesium oxide (Geo)OMg
  1749 Magnesium hydroxideHOMg
  1750 Magnesium hydride hydroxideH2OMg
  1751 Magnesium hydride hydroxide (Geo)H2OMg
  1752 Magnesium cyanide hydroxideHCNOMg
  1753 Magnesium cyanide hydroxide (Geo)HCNOMg
  1754 Magnesium di-hydroxideH2O2Mg
  1755 Magnesium di-hydroxide (Geo)H2O2Mg
  1756 Mg(II)C2O2 (DOBXIB) (Geo)C10H22O2Mg


ΔHf: 339.7 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.
  
 CHARGE=2 PM7
Mg(II)N6(2+) (DOTZIV)
 H=339.7 HR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.52368867 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.15726522 +1  178.9794374 +1  180.0000000 +0     2     1     0
  C     1.43087877 +1  179.9802485 +1   73.5833528 +1     3     2     1
  H     1.11262730 +1  112.6650669 +1  -75.2887631 +1     4     3     2
  H     1.11334877 +1  112.5227069 +1 -119.8701568 +1     4     3     5
  H     1.11267507 +1  112.6663176 +1 -119.8751803 +1     4     3     6
  N     2.52370858 +1   89.9768813 +1   70.5801325 +1     1     2     7
  C     1.15726053 +1  179.7319200 +1 -115.7087137 +1     8     1     2
  C     1.43087556 +1  179.9825280 +1   13.6733155 +1     9     8     3
  H     1.11283931 +1  112.6150929 +1 -145.8122508 +1    10     9     3
  H     1.11283970 +1  112.6260329 +1 -120.0113091 +1    10     9    11
  H     1.11289663 +1  112.6116359 +1 -120.0018866 +1    10     9    12
  N     2.52384093 +1   90.0447921 +1  -90.5767312 +1     1     2     8
  C     1.15728032 +1  179.5928882 +1 -105.5985272 +1    14     1     2
  C     1.43088177 +1  179.9935054 +1 -134.8205957 +1    15    14     9
  H     1.11290990 +1  112.6250828 +1   74.4440292 +1    16    15     2
  H     1.11287407 +1  112.6177646 +1 -120.0108884 +1    16    15    17
  H     1.11286284 +1  112.6145608 +1 -120.0013476 +1    16    15    18
  N     2.52416373 +1   90.0044892 +1 -179.9989156 +1     1    14     2
  C     1.15726495 +1  179.9633023 +1  139.6187552 +1    20     1    14
  C     1.43088821 +1  179.9964595 +1   68.9072081 +1    21    20    14
  H     1.11284327 +1  112.6189955 +1 -130.0485306 +1    22    21     8
  H     1.11285017 +1  112.6195294 +1  119.9890188 +1    22    21    23
  H     1.11284628 +1  112.6221230 +1  119.9984767 +1    22    21    24
  N     2.52416862 +1   90.0185648 +1  -90.0364013 +1     1     2    14
  C     1.15721665 +1  179.8822722 +1  -64.6205626 +1    26     1     2
  C     1.43091635 +1  179.9738754 +1   75.6192960 +1    27    26    14
  H     1.11287455 +1  112.6181849 +1 -156.2494721 +1    28    27    15
  H     1.11286864 +1  112.6317501 +1  120.0138797 +1    28    27    29
  H     1.11290032 +1  112.6094837 +1  119.9975155 +1    28    27    30
  N     2.52403641 +1   90.0538098 +1  -90.0032194 +1     1     2    26
  C     1.15724945 +1  179.9963067 +1  -75.0493212 +1    32     1     2
  C     1.43091406 +1  179.9637784 +1   45.4728476 +1    33    32    20
  H     1.11284439 +1  112.6284414 +1 -161.9723143 +1    34    33     8
  H     1.11285420 +1  112.6031394 +1  119.9893042 +1    34    33    35
  H     1.11285771 +1  112.6231464 +1  119.9963743 +1    34    33    36