Accuracy

mgn3o2   1766 MgN3O2

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    #  Species Formula
  1756 Mg(II)C2O2 (DOBXIB) (Geo)C10H22O2Mg
  1757 Mg(II)C2O2 (DOBXIB)C10H22O2Mg
  1758 Mg(II)(Cp)CO2 (HUXSAU) (Geo)C18H26O2Mg
  1759 Mg(II)(Cp)CO2 (HUXSAU)C18H26O2Mg
  1760 MgHNO2 (Geo)HNO2Mg
  1761 MgH(ONO) (Geo)HNO2Mg
  1762 Mg(II)O4(2+) (INSMGC) (Geo)H8O4Mg
  1763 Mg(II)O4(2+) (INSMGC)H8O4Mg
  1764 Magnesium di-acetylacetonateC10H14O4Mg
  1765 Magnesium di-acetylacetonate (Geo)C10H14O4Mg
  1766 MgN3O2 C16H11N5O4Mg
  1767 MgN3O2 (Geo)C16H11N5O4Mg
  1768 Mg(OH)2.4(H2O)H10O6Mg
  1769 Mg(OH)2.4(H2O) (Geo)H10O6Mg
  1770 Mg(II)(H2O)5.OHH11O6Mg
  1771 Mg(II)(H2O)5.OH (Geo)H11O6Mg
  1772 Mg(++)(H2O)6H12O6Mg
  1773 Mg(++)(H2O)6 (Geo)H12O6Mg
  1774 Mg(II)O6 (DACAMG) (Geo)C10H18O6Mg
  1775 Mg(II)O6 (DACAMG)C10H18O6Mg
  1776 Mg(II)O6 (FELGUY) (Geo)C4H14O8Mg


ΔHf: -127.9 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
MgN3O2
 H=-127.9 HR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.07312748 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.94378170 +1   83.0568384 +1    0.0000000 +0     1     2     0
  N     2.31051404 +1  151.3395580 +1 -177.0850629 +1     1     2     3
  N     2.53543728 +1   92.4915999 +1 -109.4894716 +1     1     2     3
  N     2.45914774 +1  102.9215161 +1   88.4959014 +1     4     1     2
  N     2.51630110 +1   95.7850633 +1 -142.6440593 +1     1     2     5
  N     2.45906930 +1  102.0159440 +1  173.7209636 +1     4     1     6
  C     1.23573162 +1  107.8395438 +1   -0.1321399 +1     2     1     3
  H     2.72226240 +1   80.7047777 +1  156.1120026 +1     6     4     1
  H     2.75777018 +1  111.9721737 +1    2.4045822 +1    10     6     4
  C     1.07223778 +1   63.3656539 +1   -1.5284613 +1    10     6    11
  C     1.29883792 +1   24.7595752 +1   -1.8569437 +1     6     4    10
  C     1.35989697 +1  126.4267015 +1 -171.5756486 +1     5     1     2
  C     1.42272286 +1  120.6758937 +1 -176.1086032 +1    14     5     1
  C     1.38188927 +1  119.1145602 +1   -0.7519519 +1    15    14     5
  H     1.09079274 +1  120.3975796 +1 -179.8876853 +1    16    15    14
  C     1.40132375 +1  119.7272508 +1  179.9084821 +1    16    15    17
  C     1.35059436 +1  114.1151446 +1 -177.1967610 +1     5     1    14
  H     3.87895074 +1  171.0757297 +1  -56.6428947 +1     7     1     2
  H     1.96086616 +1   93.2681020 +1 -179.8456228 +1     9     2     1
  C     1.07236483 +1   48.6605028 +1   -1.8222139 +1    11    10     6
  C     1.29962909 +1   24.7255301 +1 -154.6178117 +1     8     4     1
  C     1.36016437 +1  125.7853691 +1 -130.0001784 +1     7     1    20
  C     1.42297209 +1  120.5378831 +1  172.0180895 +1    24     7     1
  C     1.09067026 +1    0.4129101 +1  149.4956632 +1    20     7     1
  C     1.40135581 +1  120.2158603 +1 -179.8354211 +1    26    20    25
  C     1.35091061 +1  114.3911789 +1  173.2446592 +1     7     1    24
  O     2.24927615 +1  142.0323157 +1    0.1181708 +1     3     1     2
  O     0.99849065 +1   37.5051472 +1 -179.9511621 +1    21     9     2
  C     1.19495636 +1   24.4723209 +1   -0.0857964 +1    29     3     1
  H     1.08903974 +1  118.7475133 +1 -179.9778698 +1    15    14    16
  H     1.08427171 +1  120.6574196 +1 -179.5281617 +1    18    16    15
  H     1.09792804 +1  115.3771646 +1   -3.5664379 +1    19     5     1
  H     1.08913773 +1  118.7025137 +1 -179.2947357 +1    25    24     7
  H     1.08424878 +1  120.6721943 +1   -0.6709837 +1    27    26    20
  H     1.09800145 +1  115.3328726 +1    7.2554538 +1    28     7     1