PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

na(plus)(h2o)4r   1694 Na(+)(H2O)4 (Geo)

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    #  Species Formula
  1684 NaOH.H2O (Geo)H3O2Na
  1685 Na(+)(H2O)2H4O2Na
  1686 Na(+)(H2O)2 (Geo)H4O2Na
  1687 NaBO2BO2Na
  1688 NaBO2 (Geo)BO2Na
  1689 NaOH.(H2O)2H5O3Na
  1690 NaOH.(H2O)2 (Geo)H5O3Na
  1691 Na(+)(H2O)3H6O3Na
  1692 Na(+)(H2O)3 (Geo)H6O3Na
  1693 Na(+)(H2O)4H8O4Na
  1694 Na(+)(H2O)4 (Geo) H8O4Na
  1695 NaHCO3.(H2O)2CH5O5Na
  1696 NaHCO3.(H2O)2 (Geo)CH5O5Na
  1697 NaNO3.(H2O)2H4NO5Na
  1698 NaNO3.(H2O)2 (Geo)H4NO5Na
  1699 Na(+)(H2O)6H12O6Na
  1700 Na(+)(H2O)6 (Geo)H12O6Na
  1701 Nonactin-sodium thiocyanate (NONACS) (Geo)C40H64O12Na
  1702 Sodium fluoride (NaF) (Geo)FNa
  1703 Sodium fluorideFNa
  1704 Neon sodium cation (Geo)NeNa


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)4
 <Na-O> GR=PW91D
 Na     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.34729300 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.53300426 +1  106.8915196 +1    0.0000000 +0     1     2     0
  O     2.53744073 +1  113.4314760 +1  117.3914213 +1     1     2     3
  O     2.53377121 +1  108.8568035 +1  119.2578535 +1     1     2     4
  H     0.96221133 +1  127.3253818 +1  151.9933245 +1     2     1     3
  H     0.96228784 +1  127.0739221 +1 -176.3733649 +1     2     1     6
  H     0.96186556 +1  128.1792689 +1  -80.9997884 +1     3     1     2
  H     0.96225126 +1  126.0764723 +1 -174.9855279 +1     3     1     8
  H     0.96189184 +1  127.0359857 +1  165.4739200 +1     4     1     2
  H     0.96213773 +1  127.3126034 +1 -178.3624458 +1     4     1    10
  H     0.96216907 +1  126.9049263 +1  -84.4214555 +1     5     1     2
  H     0.96209162 +1  127.5016250 +1 -177.4601028 +1     5     1    12