Accuracy

pb(ii)o2n2 (iclmsx)   8117 Pb(II)O2N2 (ICLMSX)

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    #  Species Formula
  8107 Pb(+)F3.H2S (Geo)H2F3SPb
  8108 Pb(II)S2 (DISWIL) (Geo)C2H4S2Pb
  8109 Pb(II)S2 (DISWIL)C2H4S2Pb
  8110 Pb(II)N2S2 (XUSSUZ) (Geo)C4H12N2S2Pb
  8111 Pb(II)N2S2 (XUSSUZ)C4H12N2S2Pb
  8112 Pb(II)S4 (IPTCPB) (Geo)C14H28N2S4Pb
  8113 Pb(II)S4 (IPTCPB)C14H28N2S4Pb
  8114 Pb(II)S4(2-) (KAJMUD) (Geo)C8N4S4Pb
  8115 Pb(II)S4(2-) (KAJMUD)C8N4S4Pb
  8116 Pb(II)O2N2 (ICLMSX) (Geo)C6H12N2O2S4Pb
  8117 Pb(II)O2N2 (ICLMSX) C6H12N2O2S4Pb
  8118 Lead chloride, cationClPb
  8119 Lead chlorideClPb
  8120 Trimethyllead chlorideC3H9ClPb
  8121 Lead dichloride, cationCl2Pb
  8122 Lead dichlorideCl2Pb
  8123 Lead dichloride (Geo)Cl2Pb
  8124 18-Crown-6-dichloro-lead(II) (NOMJUV) (Geo)C12H24O6Cl2Pb
  8125 Pb(IV)Cl2.2(H2S)H4S2Cl2Pb
  8126 Pb(IV)Cl2.2(H2S) (Geo)H4S2Cl2Pb
  8127 Lead tetrachlorideCl4Pb


ΔHf: -16.4 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
Pb(II)O2N2 (ICLMSX)
 H=-16.4 HR=PW91D
 Pb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     3.39434591 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     3.36881000 +1  102.0922039 +1    0.0000000 +0     1     2     0
  O     2.08359504 +1   75.2609374 +1  -69.6619145 +1     1     2     3
  S     2.79854219 +1  148.3943993 +1  -62.9404874 +1     3     1     2
  O     2.08269249 +1   74.1165171 +1  140.8559821 +1     1     2     4
  C     2.59401531 +1  139.7298622 +1  124.8623021 +1     4     1     2
  C     2.76717863 +1   59.1833436 +1  -65.0492757 +1     7     4     5
  C     2.65186568 +1  112.2591315 +1  -58.3467886 +1     6     1     2
  C     1.17541309 +1  147.1850285 +1  -61.0413794 +1     2     1     3
  C     2.76471907 +1   57.1173308 +1  137.4749240 +1     9     6     1
  C     1.17570113 +1  150.0068033 +1  -64.3295155 +1     3     1     2
  H     1.10465335 +1  137.4809538 +1   17.9657207 +1     7     4     8
  H     1.09590486 +1  112.6992223 +1 -157.8370587 +1     7     4    13
  H     1.10660647 +1   79.5583445 +1 -103.2777673 +1     7     4    14
  H     1.10120022 +1   95.6601690 +1 -158.4328043 +1     8     7     4
  H     1.10861903 +1  149.2073466 +1  134.8548157 +1     8     7    16
  H     1.10221599 +1   87.8301647 +1  119.5234490 +1     8     7    17
  H     1.10224343 +1   93.0473976 +1  -86.3696898 +1     9     6    11
  H     1.10151792 +1  146.0971309 +1  124.0943589 +1     9     6    19
  H     1.10855312 +1   95.1381607 +1  129.0215214 +1     9     6    20
  H     1.10710170 +1  104.2679349 +1  -69.5454055 +1    11     9     6
  H     1.10392565 +1   81.1606319 +1 -102.1075526 +1    11     9    22
  H     1.09596389 +1  145.3988474 +1 -107.5917291 +1    11     9    23
  S     1.54477681 +1  152.4209386 +1   46.8636745 +1     4     1     2
  S     1.54523795 +1  152.2740281 +1   -5.4502444 +1     6     1     9
  S     1.62506121 +1  152.5281070 +1  -57.0925427 +1    10     1     3