Accuracy

na-lir   1670 Na-Li, complex (Geo)

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    #  Species Formula
  1660 PerfluorotributylamineC12NF27
  1661 Neon, atomNe
  1662 Neon fluoride anion (Geo)FNe
  1663 Sodium, cationNa
  1664 Sodium, 2P(u) - 3s(0)3p(1)Na
  1665 Sodium, atomNa
  1666 Sodium, anionNa
  1667 Sodium hydride (Geo)HNa
  1668 Sodium hydrideHNa
  1669 Helium Sodium cation (Geo)HeNa
  1670 Na-Li, complex (Geo) LiNa
  1671 Sodium lithiumLiNa
  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


REF: Calculated using the HF 6-31G(d) basis set in Gaussian 03: M.J. Frisch, et. al., Gaussian 03, Gaussian Inc, Pittsburg, (2003).
  
 PM7
Na-Li, complex
 <Na-Li> GR=HF631G
 Na     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Li     2.99900000 +1    0.0000000 +0    0.0000000 +0     1     0     0