Accuracy

csbo2   6275 CsBO2

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  6265 Cesium, 2P(u) - 6s(0)6p(1)Cs
  6266 Cesium, 2S(g) - 6s(1)6p(0)Cs
  6267 Cesium, atomCs
  6268 Cesium, anionCs
  6269 Methyl cesium (Geo)CH3Cs
  6270 Methyl cesiumCH3Cs
  6271 Cesium cyclopentadienide (Geo)C5H5Cs
  6272 Cesium oxide (CsO)OCs
  6273 Cesium hydroxideHOCs
  6274 Cesium hydroxide (Geo)HOCs
  6275 CsBO2 BO2Cs
  6276 Cs-OBO (Geo)BO2Cs
  6277 Cs(I)(C6)2O2(+) (WIVRAU) (Geo)C26H24O2Cs
  6278 Cs(I)(C6)2O2(+) (WIVRAU)C26H24O2Cs
  6279 Cesium nitrite (Geo)NO2Cs
  6280 Cesium nitrateNO3Cs
  6281 Cesium nitrate (Geo)NO3Cs
  6282 Cs(+)(H2O)4H8O4Cs
  6283 Cs(+)(H2O)4 (Geo)H8O4Cs
  6284 Cs(I)O6(+) (CSTHXD) (Geo)C12H24O6Cs
  6285 Cs(I)O6(+) (CSTHXD)C12H24O6Cs


ΔHf: -168.1 kcal/mol,     REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
  
 PM7
CsBO2
 H=-168.1 HR=WEPS1982
 Cs     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.34942627 +1    0.0000000 +0    0.0000000 +0     1     0     0
 XX     1.00000000 +0   90.0000000 +0    0.0000000 +0     2     1     0
  B     1.26207816 +1   90.3532022 +1  180.0000000 +0     2     3     1
  O     1.21170617 +1  141.5965410 +1  179.9996817 +1     4     3     1