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

cs(plus)(h2o)3.clr   6306 Cs(+)(H2O)3.Cl (Geo)

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    #  Species Formula
  6296 Cs(+)(H2O)3.FH6O3FCs
  6297 Cs(+)(H2O)3.F (Geo)H6O3FCs
  6298 Cesium tetrafluoroaluminateF4AlCs
  6299 Cesium metaphosphate (Geo)O3PCs
  6300 Cesium sulfate, anionO4SCs
  6301 Cs(I)O5S2(+) (RILGUO) (Geo)C16H24N2O5S2Cs
  6302 Cesium chlorideClCs
  6303 Cesium chloride (Geo)ClCs
  6304 Cesium chloride, anionClCs
  6305 Cs(+)(H2O)3.ClH6O3ClCs
  6306 Cs(+)(H2O)3.Cl (Geo) H6O3ClCs
  6307 Cesium bromideBrCs
  6308 Cesium bromide (Geo)BrCs
  6309 Cesium bromide, anionBrCs
  6310 Cs(+)(H2O)3.BrH6O3BrCs
  6311 Cs(+)(H2O)3.Br (Geo)H6O3BrCs
  6312 Cesium iodideICs
  6313 Cesium iodide (Geo)ICs
  6314 Cesium iodide, anionICs
  6315 Cs(+)(H2O)3.IH6O3ICs
  6316 Cs(+)(H2O)3.I (Geo)H6O3ICs


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
Cs(+)(H2O)3.Cl
 <Cs-O> <><> <Cs-Cl> GR=PW91D
 Cs     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.90425500 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     3.27720653 +1   88.6062368 +1    0.0000000 +0     1     2     0
 Cl     3.09842900 +1   62.8584703 +1   49.2853192 +1     3     1     2
  O     3.25388095 +1   92.1460639 +1   95.6752669 +1     1     2     3
  H     0.97158321 +1   99.9679673 +1    4.6343779 +1     2     1     3
  H     0.97292483 +1   99.0858370 +1 -103.5566747 +1     2     1     6
  H     0.94964266 +1  173.8103324 +1  177.8243259 +1     3     1     4
  H     0.98252014 +1   81.3902934 +1   52.4201332 +1     3     1     2
  H     0.98136518 +1   83.0415406 +1  -56.1833129 +1     5     1     2
  H     0.95024683 +1  157.2534220 +1  111.9803203 +1     5     1    10