Accuracy

nahco3.2h2or   1694 NaHCO3.(H2O)2 (Geo)

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    #  Species Formula
  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)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)2H4NO5Na
  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


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
NaHCO3.(H2O)2
 <Na-O(H2)> <Na-C> GR=PW91D
 Na     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.41378000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.65216100 +1   91.0405326 +1    0.0000000 +0     1     2     0
  O     1.24703943 +1   61.8555549 +1  160.9934268 +1     3     1     2
  O     1.25698549 +1   64.2753187 +1 -175.9781322 +1     3     1     4
  O     2.70717165 +1  178.8597383 +1 -159.3464153 +1     1     2     3
  H     0.97824392 +1  102.5705326 +1  -42.2471618 +1     2     1     3
  H     0.97564310 +1  105.0771166 +1  104.9496502 +1     2     1     7
  O     1.36788465 +1  117.4025752 +1  176.1830831 +1     3     5     1
  H     0.94949255 +1  165.2184803 +1  -25.2156392 +1     6     1     2
  H     0.97453801 +1   88.2103731 +1   15.6204646 +1     6     1     5
  H     0.98806102 +1  110.9342815 +1 -176.9169267 +1     9     3     4