Accuracy

Nb(V)Cl5N (NUYDAM)   4776 Nb(V)Cl5N (NUYDAM)

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    #  Species Formula
  4766 Nb(V)Cl4O2 (WIGKIG) (Geo)C12H17O2Cl4Nb
  4767 Nb(V)Cl4O2 (WIGKIG)C12H17O2Cl4Nb
  4768 Nb(IV)Cl4P2 (CUHVIK) (Geo)C12H30P2Cl4Nb
  4769 Niobium pentachloride (Geo)Cl5Nb
  4770 Niobium(V) pentachlorideCl5Nb
  4771 Nb(V)Cl5N (CFNTNB) (Geo)HCNCl5Nb
  4772 Nb(V)Cl5N (CFNTNB)HCNCl5Nb
  4773 Nb(V)Cl6(-) (SIWLAL) (Geo)Cl6Nb
  4774 Niobium(V) hexachloride, anionCl6Nb
  4775 Nb(V)Cl5N (NUYDAM) (Geo)C2NCl8Nb
  4776 Nb(V)Cl5N (NUYDAM) C2NCl8Nb
  4777 Dimethyl niobium bromideC2H6BrNb
  4778 Dimethyl niobium bromide (Geo)C2H6BrNb
  4779 Niobium(III) tribromideBr3Nb
  4780 Niobium(V) oxide tribromide (Geo)OBr3Nb
  4781 Niobium(V) oxide tribromideOBr3Nb
  4782 NbS3Br3 (CANBEY) (Geo)C8H16S3Br3Nb
  4783 NbS3Br3 (CANBEY)C8H16S3Br3Nb
  4784 niobium(V) tetrabromide, cation (Geo)Br4Nb
  4785 niobium(V) tetrabromide, cationBr4Nb
  4786 Niobium pentabromide (Geo)Br5Nb


ΔHf: -140.9 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.
  
 PULAY PM7
Nb(V)Cl5N (NUYDAM)
 H=-140.9 HR=PW91D
 Nb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.27679553 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.33663695 +1  102.9133693 +1    0.0000000 +0     1     2     0
  N     2.20013057 +1   76.8804932 +1 -179.9884895 +1     1     3     2
  C     2.59830105 +1  179.9285155 +1   90.9879271 +1     4     1     3
 Cl     1.75348481 +1  108.6884641 +1  -88.2706245 +1     5     4     3
 Cl     1.75345959 +1  108.6988852 +1 -120.0227056 +1     5     4     6
  C     1.15810907 +1  179.9185397 +1   90.3741688 +1     4     1     3
 Cl     2.33566369 +1  103.1123511 +1 -179.9900119 +1     1     2     3
 Cl     1.75345354 +1  108.6417700 +1 -120.0027412 +1     5     4     7
 Cl     2.33541997 +1  102.6952242 +1   89.9983603 +1     1     2     9
 Cl     2.33538729 +1  102.6573027 +1  179.9676067 +1     1     2    11