Accuracy

kno3.2h2o   2682 KNO3.2H2O

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    #  Species Formula
  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 KNO3.2H2O H4NO5K
  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
  2689 K(I)O6(+) (AQEPIV)C12H24O6K
  2690 K(I)O6N (YAKWOX) (Geo)C16H28NO6K
  2691 K(I)O6N (YAKWOX)C16H28NO6K
  2692 K(I)O6N2(+) (GAZGIX) (Geo)C18H36N2O6K


ΔHf: -199.3 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.
  
 PM7
KNO3.2H2O
 H=-199.3 HR=PW91D
  K     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     3.42071553 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     3.22308528 +1   63.4331767 +1    0.0000000 +0     1     2     0
  O     1.26265508 +1   58.7424133 +1 -126.7679061 +1     3     1     2
  O     1.27233763 +1   56.3576433 +1  175.7180474 +1     3     1     4
  O     3.18671634 +1  129.2227857 +1  -29.5268003 +1     1     2     3
  H     0.95263592 +1  129.1324254 +1 -102.9559425 +1     2     1     3
  H     0.97071859 +1   68.8042854 +1   91.5211458 +1     2     1     7
  O     1.20895350 +1  121.8646597 +1 -177.1912841 +1     3     5     1
  H     0.97493019 +1   85.1833727 +1   37.5876160 +1     6     1     2
  H     0.95967044 +1  105.1337324 +1  -77.6940961 +1     6     1     4