Accuracy

bismuth trihydride   8163 Bismuth trihydride

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    #  Species Formula
  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 trihydride H3Bi
  8164 Lithium bismuthideLiBi
  8165 Trimethylbismuth (Geo)C3H9Bi
  8166 TrimethylbismuthC3H9Bi
  8167 C5H5Bi (Bismin)C5H5Bi
  8168 TriethylbismuthC6H15Bi
  8169 TriphenylbismuthC18H15Bi
  8170 BiH2-NH2H4NBi
  8171 BiH2-NH2 (Geo)H4NBi
  8172 Bi(III)O6 (JUJVUF) (Geo)C6H9O6Bi
  8173 Bi(III)O6 (JUJVUF)C6H9O6Bi


ΔHf: 25.6 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.
Dipole: 0.4 Debye,     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
Bismuth trihydride
 H=25.6 HR=PW91D D=0.4 DR=PW91D
 Bi     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  H     1.61588133 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.61419093 +1   95.4760712 +1    0.0000000 +0     1     2     0
  H     1.61417603 +1   95.4771150 +1   96.1543255 +1     1     2     3