Accuracy

k(plus)(h2o)3r   2675 K(+)(H2O)3 (Geo)

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    #  Species Formula
  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
  2684 K(+)(H2O)5.OH (Geo)H11O6K
  2685 K(+)(H2O)5.OHH11O6K


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)3
 <K-O> GR=PW91D
  K     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.74428600 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.88730180 +1  117.5975700 +1    0.0000000 +0     1     2     0
  O     2.88843148 +1  120.6906408 +1 -177.2700525 +1     1     2     3
  H     0.96166827 +1  127.3678770 +1 -151.6080671 +1     2     1     3
  H     0.96171168 +1  127.4151617 +1 -179.8654070 +1     2     1     5
  H     0.96159738 +1  127.3936984 +1 -149.5980083 +1     3     1     2
  H     0.96153783 +1  127.3609419 +1 -178.3671577 +1     3     1     7
  H     0.96155459 +1  127.4546724 +1 -140.0288707 +1     4     1     2
  H     0.96163583 +1  127.3325259 +1  179.0774283 +1     4     1     9