Accuracy

naoh.h2or   1682 NaOH.H2O (Geo)

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    #  Species Formula
  1672 Sodium methyl (Geo)CH3Na
  1673 Sodium cyclopentadienide (Geo)C5H5Na
  1674 Sodium cyanide (Geo)CNNa
  1675 Sodium cyanideCNNa
  1676 Sodium oxide (NaO) (Geo)ONa
  1677 Sodium oxideONa
  1678 Sodium hydroxide (Geo)HONa
  1679 Sodium hydroxideHONa
  1680 Lithium sodium oxideLiONa
  1681 NaOH.H2OH3O2Na
  1682 NaOH.H2O (Geo) H3O2Na
  1683 Na(+)(H2O)2H4O2Na
  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


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
 <Na-O(H)> <Na-O(H2)> GR=PW91D
 Na     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.96744100 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.35274400 +1  177.5837985 +1    0.0000000 +0     1     2     0
  H     0.86926517 +1  179.8636035 +1 -177.0874942 +1     2     1     3
  H     0.95907587 +1  127.7620167 +1 -141.7421609 +1     3     1     4
  H     0.95925452 +1  126.6256937 +1  179.0069958 +1     3     1     5