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

koh.2h2o   2673 KOH.2H2O

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


ΔHf: -156.2 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.
  
 PM7
KOH.2H2O
 H=-156.2 HR=PW91D
  K     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     3.87100324 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     3.08791436 +1  169.7564729 +1    0.0000000 +0     1     2     0
  O     2.32133495 +1   40.7689528 +1  175.7835674 +1     1     2     3
  H     1.01062191 +1   39.3224489 +1    5.1271394 +1     2     1     4
  H     0.94220216 +1  120.5920192 +1  -73.4239010 +1     2     1     5
  H     0.95707614 +1  124.5427448 +1   32.8862066 +1     3     1     4
  H     0.95634120 +1  128.6218316 +1 -166.5165850 +1     3     1     7
  H     0.90238766 +1  143.1881710 +1 -145.6189741 +1     4     1     2