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bicyclopentadienyl dithioisopropyl molybdenum   4850 Bicyclopentadienyl dithioisopropyl molybdenum

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    #  Species Formula
  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
  4850 Bicyclopentadienyl dithioisopropyl molybdenum C16H24S2Mo
  4851 Bicyclopentadienyl dithiopropyl molybdenumC16H24S2Mo
  4852 Bicyclopentadienyl di(thio-n-butyl) molybdenumC18H28S2Mo
  4853 Bicyclopentadienyl di(thio-t-butyl) molybdenumC18H28S2Mo
  4854 Mo(VI)S2O2N2 (FINJOB) (Geo)C8H20N2O2S2Mo
  4855 Mo(VI)S2O2N2 (FINJOB)C8H20N2O2S2Mo
  4856 Mo(VI)S4(2-) (AMEHEF) (Geo)S4Mo
  4857 Mo(VI)S4(2-) (AMEHEF)S4Mo
  4858 Molybdenum(I) chloride (Geo)ClMo
  4859 Molybdenum(I) chlorideClMo
  4860 Bicyclopentadienyl molybdenum dichlorideC10H10Cl2Mo


ΔHf: 15.9 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.
  
 SHIFT=5 UHF TRIPLET PM7
Bicyclopentadienyl dithioisopropyl molybdenum
 H=15.9 HR=NIST
 Mo     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.25695464 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.46955660 +1  118.9937425 +1    0.0000000 +0     2     1     0
  C     1.40155246 +1  109.3005081 +1   76.7876552 +1     3     2     1
  C     1.40047168 +1  109.5844198 +1   -0.6651223 +1     4     3     2
  C     1.47606799 +1  109.0608606 +1    0.0333993 +1     5     4     3
  C     2.52846946 +1  110.8168486 +1   10.5144703 +1     1     2     3
  C     1.43646879 +1   69.4860704 +1 -177.5014716 +1     7     1     2
  C     1.43388970 +1  107.7872244 +1   65.9766974 +1     8     7     1
  C     1.43185495 +1  107.8587622 +1   -3.5189305 +1     9     8     7
  C     1.41092111 +1   73.4791299 +1  117.3384942 +1     7     1     8
  C     3.49735232 +1  101.9757315 +1 -179.3181660 +1     1     2     6
  C     3.92780855 +1  102.4484148 +1   89.6658915 +1     1     2    12
  C     1.52303102 +1  134.0690749 +1  -70.3172620 +1    12     1     2
  C     1.52441681 +1  107.7022298 +1 -150.1933947 +1    13     1     2
  C     1.52243172 +1  111.2721285 +1  157.0982343 +1    12     1    14
  C     1.52363588 +1  106.9950393 +1  120.0697229 +1    13     1    15
  S     1.87313607 +1   40.3381266 +1  -94.9174566 +1    12     1    16
  S     1.83454279 +1    3.9506203 +1  122.9361421 +1    13     1    17
  H     1.08937438 +1  111.4095308 +1 -143.7602879 +1     2     1     3
  H     1.06994625 +1  123.4255202 +1  178.5970393 +1     3     2     4
  H     1.07282018 +1  125.1611385 +1  179.6238756 +1     4     3     5
  H     1.06664648 +1  127.4510193 +1  178.1654169 +1     5     4     6
  H     1.08770883 +1  118.0225380 +1  144.0766505 +1     6     5     4
  H     1.07747921 +1  126.8846989 +1  123.1266270 +1     7     1    11
  H     1.07395402 +1  125.8028356 +1  170.7512762 +1     8     7     9
  H     1.07608229 +1  125.8414501 +1  175.1965454 +1     9     8    10
  H     1.07434790 +1  126.1099379 +1  172.9192071 +1    10     9     8
  H     1.07590746 +1  126.2668745 +1  122.6490128 +1    11     7     1
  H     1.11276192 +1   69.9670871 +1 -160.9169514 +1    12     1    18
  H     1.11508665 +1  109.1198649 +1   89.7456337 +1    13     1     2
  H     1.09740765 +1  110.8656386 +1 -143.6761383 +1    14    12     1
  H     1.09690116 +1  112.4241873 +1  119.9992521 +1    14    12    32
  H     1.09874490 +1  112.0583149 +1  120.6433807 +1    14    12    33
  H     1.09761946 +1  110.6925733 +1  178.3729529 +1    15    13     1
  H     1.09754906 +1  112.2256294 +1  119.5706609 +1    15    13    35
  H     1.09767470 +1  112.3471019 +1  120.8590100 +1    15    13    36
  H     1.09794860 +1  112.2034766 +1   18.2505673 +1    16    12     1
  H     1.09816342 +1  112.1447850 +1 -120.4552984 +1    16    12    38
  H     1.09708042 +1  110.9732685 +1 -119.7645243 +1    16    12    39
  H     1.09821719 +1  112.1843278 +1   63.3860636 +1    17    13     1
  H     1.09858159 +1  112.3643746 +1 -120.4960857 +1    17    13    41
  H     1.09732922 +1  110.7855650 +1 -119.8137504 +1    17    13    42