Accuracy

bi(iii)o6 (jujvuf)   8173 Bi(III)O6 (JUJVUF)

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    #  Species Formula
  8163 Bismuth trihydrideH3Bi
  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
  8174 Bi(III)O4N4(-) (HADRAG) (Geo)C16H24N4O8Bi
  8175 Bi(III)O4N4(-) (HADRAG)C16H24N4O8Bi
  8176 Bi(III)O10(2-) (CAVZUU) (Geo)C5H5O10Bi
  8177 Bismuth fluorideFBi
  8178 Dimethyl bismuth fluorideC2H6FBi
  8179 Dimethyl bismuth fluoride (Geo)C2H6FBi
  8180 Bi(V)C4F (ILIKAP) (Geo)C24H20FBi
  8181 Bi(V)C4F (ILIKAP)C24H20FBi
  8182 Bismuth difluoride (Geo)F2Bi
  8183 Bismuth difluorideF2Bi


ΔHf: -253.1 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
Bi(III)O6 (JUJVUF)
 H=-253.1 HR=PW91D
 Bi     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.29950306 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.18570730 +1   62.8422120 +1    0.0000000 +0     2     1     0
  O     2.29809077 +1   78.8329589 +1   99.0621245 +1     1     2     3
  O     2.18565053 +1   62.8357496 +1 -179.1989426 +1     4     1     2
  O     2.33878883 +1   90.5480631 +1  134.9005857 +1     1     2     4
  O     2.18608374 +1   60.9762004 +1  -75.5686105 +1     6     1     2
  C     1.26501597 +1   30.8657076 +1 -178.6148345 +1     3     2     1
  C     1.49206185 +1  121.5760254 +1 -179.6281376 +1     8     3     2
  C     1.27757076 +1   93.3680672 +1   -0.9186134 +1     4     1     5
  C     1.49194399 +1  119.6689000 +1 -178.8370921 +1    10     4     1
  C     1.26514041 +1   91.7960687 +1    1.7769907 +1     6     1     7
  C     1.49204129 +1  121.6494064 +1  177.3244243 +1    12     6     1
  H     1.09999588 +1  110.9903866 +1   45.6802743 +1     9     8     3
  H     1.09963903 +1  111.6932163 +1  121.2638887 +1     9     8    14
  H     1.10116579 +1  110.2279070 +1  119.8474943 +1     9     8    15
  H     1.10148625 +1  110.2620178 +1   74.2788891 +1    11    10     4
  H     1.09983762 +1  111.3961030 +1  119.7970295 +1    11    10    17
  H     1.09988639 +1  111.2472037 +1  121.2942030 +1    11    10    18
  H     1.10169417 +1  110.0086716 +1  -82.5375344 +1    13    12     6
  H     1.09943715 +1  111.2834695 +1  119.0957416 +1    13    12    20
  H     1.09962584 +1  111.5871299 +1  121.5480108 +1    13    12    21