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

na(plus)(h2o)6   1699 Na(+)(H2O)6

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    #  Species Formula
  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)6 H12O6Na
  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
  1705 Sodium dimer, cationNa2
  1706 Sodium, dimer (Geo)Na2
  1707 Sodium, dimerNa2
  1708 Disodium acetylide (Geo)C2Na2
  1709 Sodium cyanide, dimerC2N2Na2


ΔHf: -251.8 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)6
 H=-251.8 HR=PW91D
 Na     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.71617735 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.71563531 +1   59.5740487 +1    0.0000000 +0     1     2     0
  O     2.69147743 +1   59.9685609 +1  -70.3944676 +1     1     2     3
  O     2.70667686 +1  122.9344717 +1 -117.6026281 +1     1     2     4
  O     2.72473486 +1  129.3998608 +1  -75.4305324 +1     1     2     5
  H     0.96905022 +1   99.1871171 +1   87.6031889 +1     2     1     3
  H     0.96950543 +1   99.0425054 +1   18.7392626 +1     3     1     2
  H     0.95844914 +1  139.2157483 +1 -146.7208536 +1     4     1     2
  H     0.95976593 +1  139.0934822 +1   26.8676560 +1     5     1     2
  H     0.95916169 +1  139.5053700 +1  -37.6178488 +1     6     1     2
  O     2.67750599 +1   59.6501819 +1  179.5922913 +1     1     6     2
  H     0.95955637 +1  138.7837226 +1  -42.8342207 +1    12     1     3
  H     0.95982553 +1  139.9477718 +1  129.1477008 +1     3     1     8
  H     0.97019715 +1   98.9026133 +1  127.8805464 +1    12     1    13
  H     0.96889583 +1   99.2622111 +1  129.3607918 +1     6     1    11
  H     0.96973824 +1   98.1561550 +1  126.5512707 +1     5     1    10
  H     0.95985452 +1  139.3018996 +1  128.5480307 +1     2     1     7
  H     0.96885277 +1   98.6648649 +1 -128.3851803 +1     4     1     9