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

k(plus)(h2o)2   2669 K(+)(H2O)2

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  2659 Potassium hydrideHK
  2660 Helium potassium cation (Geo)HeK
  2661 Potassium methyl (Geo)CH3K
  2662 Potassium cyclopentadienide (Geo)C5H5K
  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)2 H4O2K
  2670 K(+)(H2O)2 (Geo)H4O2K
  2671 KBO2BO2K
  2672 KBO2 (Geo)BO2K
  2673 KOH.2H2OH5O3K
  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


ΔHf: -17.1 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.
  
 CHARGE=1 PM7
K(+)(H2O)2
 H=-17.1 HR=PW91D
  K     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.84623337 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.84624985 +1  172.9264905 +1    0.0000000 +0     1     2     0
  H     0.96318874 +1  127.4471677 +1 -149.5987879 +1     2     1     3
  H     0.96324655 +1  127.5141736 +1 -179.7991095 +1     2     1     4
  H     0.96319860 +1  127.4901688 +1 -148.9279495 +1     3     1     2
  H     0.96318586 +1  127.4815494 +1 -179.6623132 +1     3     1     6