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

cs(plus)(h2o)4r   6284 Cs(+)(H2O)4 (Geo)

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    #  Species Formula
  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)4H8O4Cs
  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
  6294 Cesium fluorideFCs


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
 <Cs-O> GR=PW91D
 Cs     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     3.06451900 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     3.29867239 +1  109.7009655 +1    0.0000000 +0     1     2     0
  O     3.29527418 +1  105.8792791 +1  122.8860003 +1     1     2     3
  O     3.29715921 +1  110.2102000 +1  118.1161546 +1     1     2     4
  H     0.95874134 +1  127.1624059 +1 -159.7918287 +1     2     1     3
  H     0.95887140 +1  127.3921772 +1 -176.8472382 +1     2     1     6
  H     0.95847160 +1  127.8237117 +1 -133.3591547 +1     3     1     2
  H     0.95847925 +1  126.7599292 +1 -176.7867787 +1     3     1     8
  H     0.95844294 +1  127.1689620 +1  150.2214942 +1     4     1     2
  H     0.95843957 +1  127.3976954 +1  177.2013991 +1     4     1    10
  H     0.95845094 +1  126.7156377 +1  -66.3861214 +1     5     1     2
  H     0.95843756 +1  127.8877007 +1  177.8309630 +1     5     1    12