Accuracy

nano3.2h2o   1695 NaNO3.(H2O)2

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  1685 NaBO2BO2Na
  1686 NaBO2 (Geo)BO2Na
  1687 NaOH.(H2O)2H5O3Na
  1688 NaOH.(H2O)2 (Geo)H5O3Na
  1689 Na(+)(H2O)3H6O3Na
  1690 Na(+)(H2O)3 (Geo)H6O3Na
  1691 Na(+)(H2O)4H8O4Na
  1692 Na(+)(H2O)4 (Geo)H8O4Na
  1693 NaHCO3.(H2O)2CH5O5Na
  1694 NaHCO3.(H2O)2 (Geo)CH5O5Na
  1695 NaNO3.(H2O)2 H4NO5Na
  1696 NaNO3.(H2O)2 (Geo)H4NO5Na
  1697 Na(+)(H2O)6H12O6Na
  1698 Na(+)(H2O)6 (Geo)H12O6Na
  1699 Nonactin-sodium thiocyanate (NONACS) (Geo)C40H64O12Na
  1700 Sodium fluoride (NaF) (Geo)FNa
  1701 Sodium fluorideFNa
  1702 Neon sodium cation (Geo)NeNa
  1703 Sodium dimer, cationNa2
  1704 Sodium, dimer (Geo)Na2
  1705 Sodium, dimerNa2


ΔHf: -194.0 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
NaNO3.(H2O)2
 H=-194.0 HR=PW91D
 Na     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.70667544 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.25712351 +1   85.3840643 +1    0.0000000 +0     2     1     0
  O     1.27644522 +1  116.9559827 +1  -12.8285740 +1     3     2     1
  O     2.56631017 +1   60.5906996 +1  140.2606552 +1     1     2     3
  H     3.14460987 +1   92.0003164 +1  171.2882977 +1     1     2     5
  H     1.51992239 +1   64.8920663 +1   86.5509031 +1     6     1     2
  O     1.21131049 +1  122.6944801 +1 -179.7460751 +1     3     2     4
  H     0.95396182 +1  137.0251427 +1   97.5098598 +1     5     1     2
  H     0.98100897 +1   87.6179470 +1 -110.1464256 +1     5     1     9
  O     0.98009996 +1   38.0035572 +1   48.2228583 +1     7     6     1