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

nbsr   4743 Niobium(II) sulfide (Geo)

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    #  Species Formula
  4733 Dimethyl niobium fluoride (Geo)C2H6FNb
  4734 Niobium(III) oxide fluorideOFNb
  4735 Niobium(III) oxide fluoride (Geo)OFNb
  4736 Niobium(III) trifluorideF3Nb
  4737 Niobium(V) oxide trifluoride (Geo)OF3Nb
  4738 Niobium(V) oxide trifluorideOF3Nb
  4739 Nb(V)F6(-) (JIYBUO) (Geo)F6Nb
  4740 Nb(V)F6(-) (JIYBUO)F6Nb
  4741 Niobium(V) hexafluoride, anion (Geo)F6Nb
  4742 Niobium(V) hexafluoride, anionF6Nb
  4743 Niobium(II) sulfide (Geo) SNb
  4744 Niobium(II) sulfideSNb
  4745 Nb(Cp)2CS (CPNBCS) (Geo)C11H11OSNb
  4746 Nb(Cp)2CS (CPNBCS)C11H11OSNb
  4747 Nb(IV)(Cp)2S2 (HUNSEO) (Geo)C13H16S2Nb
  4748 Nb(IV)(Cp)2S2 (HUNSEO)C13H16S2Nb
  4749 Nb(V)S4(3-) (JUMNAG) (Geo)S4Nb
  4750 Nb(V)S4(3-) (JUMNAG)S4Nb
  4751 Dimethyl niobium chlorideC2H6ClNb
  4752 Dimethyl niobium chloride (Geo)C2H6ClNb
  4753 Niobium(III) oxide chloride (Geo)OClNb


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
Niobium(II) sulfide
 <Nb-S> GR=PW91D
 Nb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.15627500 +1    0.0000000 +0    0.0000000 +0     1     0     0