Accuracy

pb(ii)s2 (diswil)   8109 Pb(II)S2 (DISWIL)

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    #  Species Formula
  8099 Lead fluoride (Geo)FPb
  8100 Lead difluorideF2Pb
  8101 Lead difluoride (Geo)F2Pb
  8102 Lead sulfideSPb
  8103 Lead sulfide (Geo)SPb
  8104 Pb(CH3)3(CH3S)C4H12SPb
  8105 Pb(CH3)3(CH3S) (Geo)C4H12SPb
  8106 Pb(+)F3.H2SH2F3SPb
  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


ΔHf: 4.1 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)S2 (DISWIL)
 H=4.1 HR=PW91D
 Pb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.50688212 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.50590095 +1   87.0693878 +1    0.0000000 +0     1     2     0
  C     1.84315250 +1  100.2035501 +1   10.7479634 +1     2     1     3
  C     1.51458801 +1  113.9801327 +1  -40.8193075 +1     4     2     1
  H     1.10803090 +1  108.3578341 +1  124.9946742 +1     4     2     5
  H     1.11044788 +1  106.0147471 +1  113.5917956 +1     4     2     6
  H     1.10777935 +1  111.6564937 +1  -63.1554491 +1     5     4     2
  H     1.11064507 +1  110.2241840 +1 -117.8294912 +1     5     4     8