Accuracy

pb(ii)s3 (gigbih)   8157 Pb(II)S3 (GIGBIH)

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    #  Species Formula
  8147 18-Crown-6-diiodo-lead(II) (TOJPIR) (Geo)C12H24O6I2Pb
  8148 Pb(II)O6I2 (TOJPIR) (Geo)C12H24O6I2Pb
  8149 Pb(II)O6I2 (TOJPIR)C12H24O6I2Pb
  8150 Pb(IV)I6(2-) (FOLLIB) (Geo)I6Pb
  8151 Pb(IV)I6(2-) (FOLLIB)I6Pb
  8152 Lead, dimerPb2
  8153 HexamethyldiplumbaneC6H18Pb2
  8154 Hexamethyldiplumbane (Geo)C6H18Pb2
  8155 Pb(II)(Cp)F2 (VALVOT) (Geo)C20H30B2F8Pb2
  8156 Pb(II)S3 (GIGBIH) (Geo)C8N4S4Pb2
  8157 Pb(II)S3 (GIGBIH) C8N4S4Pb2
  8158 bis(mu-2-iodo)-tetrakis(iodo)-di-lead (GOGNEV) (Geo)I6Pb2
  8159 Bismuth, dicationBi
  8160 Bismuth, cationBi
  8161 Bismuth, atomBi
  8162 Bismuth trihydride (Geo)H3Bi
  8163 Bismuth trihydrideH3Bi
  8164 Lithium bismuthideLiBi
  8165 Trimethylbismuth (Geo)C3H9Bi
  8166 TrimethylbismuthC3H9Bi
  8167 C5H5Bi (Bismin)C5H5Bi


ΔHf: 217.2 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)S3 (GIGBIH)
 H=217.2 HR=PW91D
 Pb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.80128892 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.65180187 +1   93.7471420 +1    0.0000000 +0     1     2     0
  S     2.91215716 +1   79.0642812 +1  -63.1177463 +1     1     2     3
  C     2.73174659 +1   92.6040732 +1  175.2235544 +1     2     1     3
  C     1.41871595 +1   88.1087884 +1   73.9439573 +1     5     2     1
  C     1.41859726 +1  156.3514333 +1  178.3704753 +1     5     2     6
  N     1.15771157 +1  115.5434485 +1  178.7803623 +1     6     2     5
  N     1.15715215 +1  165.0591376 +1  179.7652326 +1     7     2     5
 Pb     2.90365157 +1  100.9232715 +1 -111.4874831 +1     2     1     5
  C     1.74051607 +1   94.2514780 +1  -74.2154343 +1     3     1     2
  S     2.65565577 +1   64.5518129 +1   98.9120930 +1    10     2     1
  C     1.35586457 +1  122.7196617 +1  176.6021118 +1    11     3     1
  C     1.41859876 +1  121.7883376 +1 -177.4036978 +1    13    11     3
  C     1.41851493 +1  122.5946859 +1  179.8148071 +1    13    11    14
  N     1.15791011 +1  151.1489463 +1 -176.5635595 +1    14    11    13
  N     1.15722975 +1  152.4500961 +1 -179.5094773 +1    15    11    13
  C     1.35575304 +1   33.6692667 +1    2.7460178 +1     5     2     7