Accuracy

molybdenum(iii) trifluoride   4839 Molybdenum(III) trifluoride

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    #  Species Formula
  4829 Mo(III)O6 (ACACMO)C15H21O6Mo
  4830 Mo(III)(Ox)3C6O12Mo
  4831 Mo(III)(Ox)3 (Geo)C6O12Mo
  4832 Molybdenum(I) fluoride (Geo)FMo
  4833 Mo(VI)O5FN(-) (AFXPCM) (Geo)C7H3NO7FMo
  4834 Mo(VI)O5FN(-) (AFXPCM)C7H3NO7FMo
  4835 Molybdenum(II) difluorideF2Mo
  4836 Molybdenum(VI) difluoride dioxideO2F2Mo
  4837 Molybdenum(VI) dioxide difluorideO2F2Mo
  4838 Molybdenum dioxide difluoride (Geo)O2F2Mo
  4839 Molybdenum(III) trifluoride F3Mo
  4840 Molybdenum(IV) tetrafluorideF4Mo
  4841 Molybdenum(III) tetrafluoride 2EF4Mo
  4842 Molybdenum(VI) oxide tetrafluorideOF4Mo
  4843 Molybdenum oxide tetrafluoride (Geo)OF4Mo
  4844 Molybdenum(V) pentafluorideF5Mo
  4845 Mo(VI)F6 d0 (Geo)F6Mo
  4846 Molybdenum(VI) hexafluoride (Geo)F6Mo
  4847 Molybdenum(VI) hexafluorideF6Mo
  4848 Molybdenum(V) sulfide trifluorideF3SMo
  4849 Molybdenum(VI) sulfide tetrafluorideF4SMo


ΔHf: -145.1 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.
  
 UHF QUARTET PM7
Molybdenum(III) trifluoride
 H=-145.1 HR=NIST
 Mo     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.85738308 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.85738368 +1  120.0403978 +1    0.0000000 +0     1     2     0
  F     1.85733403 +1  119.9727168 +1  179.9901265 +1     1     2     3