Accuracy

nano3.2h2or   1696 NaNO3.(H2O)2 (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  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
  1705 Sodium, dimerNa2
  1706 Disodium acetylide (Geo)C2Na2


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
 <Na-O(NO2)> <N-O> <N-O-Na> GR=PW91D
 Na     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.34188200 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.30511100 +1   93.1822750 +1    0.0000000 +0     2     1     0
  O     1.26130757 +1  116.0237333 +1    0.9080411 +1     3     2     1
  O     2.82030356 +1   61.5897917 +1  124.1306377 +1     1     2     3
  H     3.08176423 +1   94.3151404 +1 -175.5225297 +1     1     2     5
  H     1.51386040 +1   71.9139567 +1  106.6415651 +1     6     1     2
  O     1.20563332 +1  121.4346001 +1  178.8949586 +1     3     2     4
  H     0.94953108 +1  166.3312756 +1  103.7743850 +1     5     1     2
  H     0.97233167 +1   77.6558859 +1 -110.1121813 +1     5     1     9
  O     0.97265653 +1   38.4534772 +1   50.3798337 +1     7     6     1