PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

xenar   6260 Xenon sodium, cation (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  6250 Te(IV)I6(2-) (IZOWAV) (Geo)Te2I10
  6251 Te(IV)I6(2-) (IZOWAV)Te2I10
  6252 Xenon, cationXe
  6253 Xenon, atomXe
  6254 Xenon Lithium, cation (Geo)LiXe
  6255 Xenon tetroxideO4Xe
  6256 Xenon tetroxide (Geo)O4Xe
  6257 Xenon fluoride, anion (Geo)FXe
  6258 Xenon tetrafluoride (Geo)F4Xe
  6259 Xenon tetrafluorideF4Xe
  6260 Xenon sodium, cation (Geo) NaXe
  6261 Xenon chloride, anion (Geo)ClXe
  6262 Xenon potassium, cation (Geo)KXe
  6263 Xenon bromide, anion (Geo)BrXe
  6264 Xenon iodide, anion (Geo)IXe
  6265 Cesium, cationCs
  6266 Cesium, 2P(u) - 6s(0)6p(1)Cs
  6267 Cesium, 2S(g) - 6s(1)6p(0)Cs
  6268 Cesium, atomCs
  6269 Cesium, anionCs
  6270 Methyl cesium (Geo)CH3Cs


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 PULAY PM7
Xenon sodium, cation
 <Xe-Na> GR=PW91D
 Xe     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Na     3.23000000 +1    0.0000000 +0    0.0000000 +0     1     0     0