Accuracy

pb(ii)n2s2 (xussuz)   8111 Pb(II)N2S2 (XUSSUZ)

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    #  Species Formula
  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
  8120 Trimethyllead chlorideC3H9ClPb
  8121 Lead dichloride, cationCl2Pb


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)N2S2 (XUSSUZ)
 H=-16.4 HR=PW91D
 Pb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.56721330 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     3.56300118 +1   66.6012211 +1    0.0000000 +0     1     2     0
  H     2.38461752 +1  130.9939059 +1  -34.4397502 +1     2     1     3
  H     1.77471240 +1   70.2001072 +1  -16.9859412 +1     4     2     1
  C     1.48286767 +1   94.9075679 +1   -4.3289481 +1     3     1     2
  H     1.11475444 +1  107.7842256 +1  -80.2337597 +1     6     3     1
  H     1.11442122 +1  111.9442155 +1 -116.3479941 +1     6     3     7
  H     1.00903767 +1   96.2917014 +1  112.6047599 +1     3     1     6
  H     1.00655627 +1  131.9950223 +1  122.4014463 +1     3     1     9
  S     2.56455909 +1   99.0217597 +1   75.5799310 +1     1     2     3
  C     1.83450850 +1  105.4774954 +1   46.7580051 +1    11     1     2
  H     1.10771099 +1  105.6554967 +1 -165.6755473 +1    12    11     1
  H     1.10521409 +1  109.9106628 +1  114.6062847 +1    12    11    13
  C     1.53140071 +1  113.2523931 +1  124.8697623 +1    12    11    14
  H     1.11436027 +1  109.0781347 +1  153.5777916 +1    15    12    11
  H     1.11490630 +1  111.0866938 +1 -116.6535490 +1    15    12    16
  N     1.48325518 +1  110.7450874 +1 -119.6613831 +1    15    12    17
  H     1.00963175 +1  111.6585892 +1  -56.6045210 +1    18    15    12
  H     1.00694344 +1  111.3701204 +1 -121.6777999 +1    18    15    19
  C     1.10535367 +1   36.7295329 +1   44.6163337 +1     5     4     2