Accuracy

na(plus)(h2o)3   1689 Na(+)(H2O)3

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    #  Species Formula
  1679 Sodium hydroxideHONa
  1680 Lithium sodium oxideLiONa
  1681 NaOH.H2OH3O2Na
  1682 NaOH.H2O (Geo)H3O2Na
  1683 Na(+)(H2O)2H4O2Na
  1684 Na(+)(H2O)2 (Geo)H4O2Na
  1685 NaBO2BO2Na
  1686 NaBO2 (Geo)BO2Na
  1687 NaOH.(H2O)2H5O3Na
  1688 NaOH.(H2O)2 (Geo)H5O3Na
  1689 Na(+)(H2O)3 H6O3Na
  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)2H4NO5Na
  1696 NaNO3.(H2O)2 (Geo)H4NO5Na
  1697 Na(+)(H2O)6H12O6Na
  1698 Na(+)(H2O)6 (Geo)H12O6Na
  1699 Nonactin-sodium thiocyanate (NONACS) (Geo)C40H64O12Na


ΔHf: -68.9 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
Na(+)(H2O)3
 H=-68.9 HR=PW91D
 Na     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.46681944 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.47009185 +1  119.4959831 +1    0.0000000 +0     1     2     0
  O     2.46909345 +1  120.9136649 +1 -179.4855658 +1     1     2     3
  H     0.96393933 +1  127.1839629 +1 -146.6461165 +1     2     1     3
  H     0.96400675 +1  127.2348580 +1 -179.9537846 +1     2     1     5
  H     0.96396822 +1  127.2312874 +1 -140.4328504 +1     3     1     2
  H     0.96391220 +1  127.2001168 +1 -179.5376140 +1     3     1     7
  H     0.96393653 +1  127.1289538 +1 -138.9012184 +1     4     1     2
  H     0.96397969 +1  127.3096393 +1  179.5895950 +1     4     1     9