Accuracy

niobium(v) pentachloride   4770 Niobium(V) pentachloride

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    #  Species Formula
  4760 Niobium(V) oxide trichlorideOCl3Nb
  4761 Nb(V)Cl3N2O (ACYNNB10) (Geo)C4H6N2OCl3Nb
  4762 Nb(V)Cl3N2O (ACYNNB10)C4H6N2OCl3Nb
  4763 niobium(V) tetrachloride, cationCl4Nb
  4764 Nb(IV)Cl4N2 (CYANBA) (Geo)C4H6N2Cl4Nb
  4765 Nb(IV)Cl4N2 (CYANBA)C4H6N2Cl4Nb
  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) pentachloride Cl5Nb
  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


ΔHf: -168.1 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
I.P.: 8.1 eV,     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
Niobium(V) pentachloride
 HR=NIST H=-168.1 I=8.089 IR=PW91D S=95.75 CP=28.87
 Nb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.29875250 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.29871553 +1  120.0291438 +1    0.0000000 +0     1     2     0
 Cl     2.31959169 +1   89.9887841 +1  -89.9553271 +1     1     2     3
 Cl     2.29863980 +1  119.9862295 +1  -89.9553810 +1     1     2     4
 Cl     2.31958322 +1   89.9871287 +1  -89.9800875 +1     1     2     5