Accuracy

k(plus)(h2o)4   2676 K(+)(H2O)4

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    #  Species Formula
  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)4 H8O4K
  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


ΔHf: -140.7 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)4
 H=-140.7 HR=PW91D
  K     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.92928566 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.92375197 +1  108.9959113 +1    0.0000000 +0     1     2     0
  O     2.93805509 +1  108.8338710 +1  118.0602647 +1     1     2     3
  O     2.90761170 +1  110.5123767 +1  118.3932175 +1     1     2     4
  H     0.96030523 +1  127.2486639 +1  153.4314571 +1     2     1     3
  H     0.96031421 +1  127.2861887 +1 -179.6609328 +1     2     1     6
  H     0.96032701 +1  127.8933639 +1  -85.7745461 +1     3     1     2
  H     0.96050658 +1  126.6755840 +1 -179.7877037 +1     3     1     8
  H     0.96017207 +1  127.1391228 +1  164.0751202 +1     4     1     2
  H     0.96022775 +1  127.3829716 +1  179.8866059 +1     4     1    10
  H     0.96059293 +1  127.0703033 +1  -78.7698690 +1     5     1     2
  H     0.96054132 +1  127.5109358 +1 -179.6375737 +1     5     1    12