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

cs(plus)(h2o)4   6283 Cs(+)(H2O)4

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  6273 Cesium oxide (CsO)OCs
  6274 Cesium hydroxideHOCs
  6275 Cesium hydroxide (Geo)HOCs
  6276 CsBO2BO2Cs
  6277 Cs-OBO (Geo)BO2Cs
  6278 Cs(I)(C6)2O2(+) (WIVRAU) (Geo)C26H24O2Cs
  6279 Cs(I)(C6)2O2(+) (WIVRAU)C26H24O2Cs
  6280 Cesium nitrite (Geo)NO2Cs
  6281 Cesium nitrateNO3Cs
  6282 Cesium nitrate (Geo)NO3Cs
  6283 Cs(+)(H2O)4 H8O4Cs
  6284 Cs(+)(H2O)4 (Geo)H8O4Cs
  6285 Cs(I)O6(+) (CSTHXD) (Geo)C12H24O6Cs
  6286 Cs(I)O6(+) (CSTHXD)C12H24O6Cs
  6287 Cs(I)(Cp)O6 (QEXTOC) (Geo)C17H29O6Cs
  6288 Cs(I)(Cp)O6 (QEXTOC)C17H29O6Cs
  6289 Cs(I)O6N2(+) (CSCRYP10) (Geo)C18H36N2O6Cs
  6290 Cs(I)O6N2(+) (CSCRYP10)C18H36N2O6Cs
  6291 Cs(0)O8 (DUBCIM) (Geo)C24H48O12Cs
  6292 Cs(0)O8 (DUBCIM)C24H48O12Cs
  6293 Nonactin-cesium (NONACU) (Geo)C40H64O12Cs


ΔHf: -136.9 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.
  
 CHARGE=1 PM7
Cs(+)(H2O)4
 H=-136.9 HR=PW91D
 Cs     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     3.28275138 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     3.28532576 +1  109.9415789 +1    0.0000000 +0     1     2     0
  O     3.28197012 +1  106.9293096 +1  122.0345570 +1     1     2     3
  O     3.28541240 +1  111.1280116 +1  117.3541579 +1     1     2     4
  H     0.95929295 +1  127.3385956 +1 -159.4164804 +1     2     1     3
  H     0.95945055 +1  127.3035146 +1 -177.3557962 +1     2     1     6
  H     0.95938406 +1  127.8351725 +1 -132.4898411 +1     3     1     2
  H     0.95942569 +1  126.8220134 +1 -176.9483611 +1     3     1     8
  H     0.95931136 +1  126.9754884 +1  150.4031919 +1     4     1     2
  H     0.95932414 +1  127.6669435 +1  177.5420893 +1     4     1    10
  H     0.95939529 +1  126.7150739 +1  -66.4151385 +1     5     1     2
  H     0.95935668 +1  127.9651738 +1  177.9322075 +1     5     1    12