Accuracy

k(plus)(h2o)4r   2677 K(+)(H2O)4 (Geo)

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    #  Species Formula
  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
  2686 K(I)(H2O)6(+) (GUGNUR)H12O6K
  2687 K(+)-18-crown-6 (KEGXID) (Geo)C12H24O6K


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)4
 <K-O> GR=PW91D
  K     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.77254300 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.92884008 +1  107.0371442 +1    0.0000000 +0     1     2     0
  O     2.92706058 +1  106.1833554 +1  113.4732807 +1     1     2     3
  O     2.93094168 +1  109.9441300 +1  121.9613070 +1     1     2     4
  H     0.96013581 +1  127.3347286 +1  148.7742355 +1     2     1     3
  H     0.96022281 +1  126.7360783 +1 -170.5970472 +1     2     1     6
  H     0.95998839 +1  128.2952418 +1  -97.9063354 +1     3     1     2
  H     0.96027513 +1  125.9648608 +1 -172.4033924 +1     3     1     8
  H     0.95999985 +1  127.7535623 +1  152.2016362 +1     4     1     2
  H     0.96019465 +1  126.4791859 +1 -172.4040104 +1     4     1    10
  H     0.96023574 +1  127.1639984 +1  -78.8844692 +1     5     1     2
  H     0.96022486 +1  127.4053013 +1  176.8494650 +1     5     1    12