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

naoh.h2o   1683 NaOH.H2O

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    #  Species Formula
  1673 Sodium lithiumLiNa
  1674 Sodium methyl (Geo)CH3Na
  1675 Sodium cyclopentadienide (Geo)C5H5Na
  1676 Sodium cyanide (Geo)CNNa
  1677 Sodium cyanideCNNa
  1678 Sodium oxide (NaO) (Geo)ONa
  1679 Sodium oxideONa
  1680 Sodium hydroxide (Geo)HONa
  1681 Sodium hydroxideHONa
  1682 Lithium sodium oxideLiONa
  1683 NaOH.H2O H3O2Na
  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


ΔHf: -96.1 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.
  
 PM7
NaOH.H2O
 H=-96.1 HR=PW91D
 Na     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.02543069 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.70388629 +1  179.7755868 +1    0.0000000 +0     1     2     0
  H     0.86898087 +1  177.4360499 +1 -177.1508897 +1     2     1     3
  H     0.95853184 +1  127.3425311 +1 -136.4419193 +1     3     1     2
  H     0.95857723 +1  126.9209416 +1 -179.9881528 +1     3     1     5