Accuracy

k(plus)(h2o)5   2678 K(+)(H2O)5

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    #  Species Formula
  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)5 H10O5K
  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
  2688 K(I)O6(+) (AQEPIV) (Geo)C12H24O6K


ΔHf: -198.2 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.
  
 CHARGE=1 PM7
K(+)(H2O)5
 H=-198.2 HR=PW91D
  K     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.82899280 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.94331229 +1  113.1361506 +1    0.0000000 +0     1     2     0
  O     2.94407172 +1  113.4390844 +1 -122.1708219 +1     1     2     3
  O     2.94461231 +1  112.5709692 +1 -118.3148566 +1     1     2     4
  O     5.45197867 +1    0.1653471 +1  -42.1241458 +1     1     2     5
  H     0.96728483 +1  129.1447642 +1   87.3711931 +1     2     1     3
  H     0.96733392 +1  129.0016877 +1 -179.9731370 +1     2     1     7
  H     0.95998252 +1  127.2794752 +1  -21.6089397 +1     3     1     2
  H     0.95962837 +1  127.1489145 +1  176.8211017 +1     3     1     9
  H     0.95977752 +1  127.0357074 +1  137.5999545 +1     4     1     2
  H     0.95988378 +1  127.4410613 +1 -178.6400920 +1     4     1    11
  H     0.95973726 +1  126.6872098 +1  128.4187495 +1     5     1     2
  H     0.95973876 +1  127.8086569 +1 -179.6620021 +1     5     1    13
  H     0.95943844 +1  127.2130419 +1  114.0297112 +1     6     1     5
  H     0.95945154 +1  127.1529827 +1  179.8558808 +1     6     1    15