Accuracy

koh.h2or   2666 KOH.H2O (Geo)

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    #  Species Formula
  2656 Potassium, atomK
  2657 Potassium hydride (Geo)HK
  2658 Potassium hydrideHK
  2659 Helium potassium cation (Geo)HeK
  2660 Potassium methyl (Geo)CH3K
  2661 Potassium cyclopentadienide (Geo)C5H5K
  2662 Potassium cyanideCNK
  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


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.H2O
 <K-O(H)> <K-O(H2)> GR=PW91D
  K     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.31578700 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.81480100 +1  163.5381752 +1    0.0000000 +0     1     2     0
  H     0.87648492 +1  167.4096637 +1  177.4058202 +1     2     3     1
  H     0.95767016 +1  128.7837473 +1 -128.0216357 +1     3     1     2
  H     0.95862734 +1  125.4345740 +1  177.0257155 +1     3     1     5