Accuracy

koh.2h2or   2673 KOH.2H2O (Geo)

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    #  Species Formula
  2663 Potassium hydroxide (Geo)HOK
  2664 Potassium hydroxideHOK
  2665 KOH.H2OH3O2K
  2666 KOH.H2O (Geo)H3O2K
  2667 KOH.H2O (for K -- OH2) (Geo)H3O2K
  2668 K(+)(H2O)2H4O2K
  2669 K(+)(H2O)2 (Geo)H4O2K
  2670 KBO2BO2K
  2671 KBO2 (Geo)BO2K
  2672 KOH.2H2OH5O3K
  2673 KOH.2H2O (Geo) H5O3K
  2674 K(+)(H2O)3H6O3K
  2675 K(+)(H2O)3 (Geo)H6O3K
  2676 K(+)(H2O)4H8O4K
  2677 K(+)(H2O)4 (Geo)H8O4K
  2678 K(+)(H2O)5H10O5K
  2679 K(+)(H2O)5 (Geo)H10O5K
  2680 KHCO3.2H2OCH5O5K
  2681 KHCO3.2H2O (Geo)CH5O5K
  2682 KNO3.2H2OH4NO5K
  2683 KNO3.2H2O (Geo)H4NO5K


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
KOH.2H2O
 <K-O(H2)> <><> <K-O(H)> GR=PW91D
  K     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.80452000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     3.15456388 +1  164.2077356 +1  180.0000000 +0     1     2     0
  O     2.34609300 +1   55.2242598 +1  171.5148284 +1     1     2     3
  H     1.04444131 +1   82.9201863 +1 -179.5051791 +1     2     1     3
  H     0.94540023 +1  122.4451224 +1  100.9782010 +1     2     1     5
  H     0.95662914 +1  123.0639093 +1 -155.1600538 +1     3     1     2
  H     0.95545332 +1  130.6674692 +1 -171.4078301 +1     3     1     7
  H     0.89357816 +1  151.5161200 +1 -169.3501740 +1     4     1     2