Accuracy

Cesium chloride, dimer   6327 Cesium chloride, dimer

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

    

    #  Species Formula
  6317 Cesium, dimer (Geo)Cs2
  6318 Cesium, dimer, anionCs2
  6319 Cesium oxide (Cs2O)OCs2
  6320 Cesium hydroxide dimerH2O2Cs2
  6321 Cs2O2 (ELOKOF)a (Geo)C12H10O2Cs2
  6322 Cs2O2 (ELOKOF)aC12H10O2Cs2
  6323 Cesium fluoride, dimer (Geo)F2Cs2
  6324 Cesium sulfateO4SCs2
  6325 Cs2SO4 (Geo)O4SCs2
  6326 Cs2S4 (JUPQIU) (Geo)C16H14S4Cs2
  6327 Cesium chloride, dimer Cl2Cs2
  6328 Cesium chloride, dimer (Geo)Cl2Cs2
  6329 Cesium bromide, dimerBr2Cs2
  6330 Cesium bromide, dimer (Geo)Br2Cs2
  6331 Cesium iodide, dimerI2Cs2
  6332 Cesium iodide, dimer (Geo)I2Cs2
  6333 Cs(I)O6I2 (XIDBUH) (Geo)C24H48O12I2Cs2
  6334 CsO6I2 (NELMEW) (Geo)C24H48O12I2Cs2
  6335 CsO6I2 (NELMEW)C24H48O12I2Cs2
  6336 Cs2I3 anionI3Cs2
  6337 Cs(I)O3 (QQQAWS01) (Geo)C16H36O4Cs4


ΔHf: -172.1 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
Cesium chloride, dimer
 H=-172.1 HR=PW91D
 Cl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cs     3.23026995 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     3.21896868 +1   88.8705407 +1    0.0000000 +0     2     1     0
 Cs     3.21261048 +1   90.9629453 +1    0.0031234 +1     1     2     3