Accuracy

xelir   6253 Xenon Lithium, cation (Geo)

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    #  Species Formula
  6243 SbI6(-)SbI6
  6244 SbI6(-) (Geo)SbI6
  6245 Te(IV)I6(2-) (CEMFEF10) (Geo)TeI6
  6246 Te(IV)I6(2-) (CEMFEF10)TeI6
  6247 Ti(IV)I4Cp (JOHJOF) (Geo)C6H6Al2TiI8
  6248 Ti(II)I4(Ar) (TEFCEM) (Geo)C9H12Al2TiI8
  6249 Te(IV)I6(2-) (IZOWAV) (Geo)Te2I10
  6250 Te(IV)I6(2-) (IZOWAV)Te2I10
  6251 Xenon, cationXe
  6252 Xenon, atomXe
  6253 Xenon Lithium, cation (Geo) LiXe
  6254 Xenon tetroxideO4Xe
  6255 Xenon tetroxide (Geo)O4Xe
  6256 Xenon fluoride, anion (Geo)FXe
  6257 Xenon tetrafluoride (Geo)F4Xe
  6258 Xenon tetrafluorideF4Xe
  6259 Xenon sodium, cation (Geo)NaXe
  6260 Xenon chloride, anion (Geo)ClXe
  6261 Xenon potassium, cation (Geo)KXe
  6262 Xenon bromide, anion (Geo)BrXe
  6263 Xenon iodide, anion (Geo)IXe


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.
  
 CHARGE=1 PM7
Xenon Lithium, cation
 <Xe-Li> GR=PW91D GWT=10
 Xe     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Li     2.90700000 +1    0.0000000 +0    0.0000000 +0     1     0     0