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

bicyclopentadienyl di(thio-t-butyl) molybdenum   4855 Bicyclopentadienyl di(thio-t-butyl) molybdenum

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    #  Species Formula
  4845 Molybdenum oxide tetrafluoride (Geo)OF4Mo
  4846 Molybdenum(V) pentafluorideF5Mo
  4847 Mo(VI)F6 d0 (Geo)F6Mo
  4848 Molybdenum(VI) hexafluoride (Geo)F6Mo
  4849 Molybdenum(VI) hexafluorideF6Mo
  4850 Molybdenum(V) sulfide trifluorideF3SMo
  4851 Molybdenum(VI) sulfide tetrafluorideF4SMo
  4852 Bicyclopentadienyl dithioisopropyl molybdenumC16H24S2Mo
  4853 Bicyclopentadienyl dithiopropyl molybdenumC16H24S2Mo
  4854 Bicyclopentadienyl di(thio-n-butyl) molybdenumC18H28S2Mo
  4855 Bicyclopentadienyl di(thio-t-butyl) molybdenum C18H28S2Mo
  4856 Mo(VI)S2O2N2 (FINJOB) (Geo)C8H20N2O2S2Mo
  4857 Mo(VI)S2O2N2 (FINJOB)C8H20N2O2S2Mo
  4858 Mo(VI)S4(2-) (AMEHEF) (Geo)S4Mo
  4859 Mo(VI)S4(2-) (AMEHEF)S4Mo
  4860 Molybdenum(I) chloride (Geo)ClMo
  4861 Molybdenum(I) chlorideClMo
  4862 Bicyclopentadienyl molybdenum dichlorideC10H10Cl2Mo
  4863 mo(cp)2Cl2C10H10Cl2Mo
  4864 Molybdenum(VI) dichloride dioxideO2Cl2Mo
  4865 Molybdenum(VI) dioxide dichlorideO2Cl2Mo


ΔHf: 5.5 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.
  
 PM7
Bicyclopentadienyl di(thio-t-butyl) molybdenum
 H=5.5 HR=NIST
 Mo     0.00000000 +0   0.00000000 +0   0.00000000 +0
  C     2.36522226 +1   0.00000000 +0   0.00000000 +0
  C     1.90982602 +1   1.38548950 +1   0.00000000 +0
  C     1.22525592 +1   1.59724497 +1   1.23671435 +1
  C     1.31111141 +1   0.37629884 +1   2.02069236 +1
  C     2.06815579 +1  -0.56483105 +1   1.28049479 +1
  C    -2.35881631 +1  -0.79794739 +1   0.03861861 +1
  C    -2.06245757 +1  -0.05396373 +1   1.22284365 +1
  C    -1.74282088 +1   1.30231244 +1   0.81911216 +1
  C    -1.80790507 +1   1.36786357 +1  -0.62011562 +1
  C    -2.16432803 +1   0.04332354 +1  -1.08765395 +1
  C     1.02230846 +1  -0.58294857 +1  -3.82391211 +1
  C     0.24191328 +1  -3.87259092 +1  -0.62767038 +1
  C     0.95607639 +1   0.42825906 +1  -4.97283169 +1
  C    -0.96335962 +1  -4.00778785 +1  -1.55082477 +1
  C     2.46094057 +1  -1.04393783 +1  -3.61665693 +1
  C     0.08955554 +1  -1.74952174 +1  -4.11120717 +1
  C     1.55193021 +1  -3.78353358 +1  -1.39546412 +1
  C     0.29081005 +1  -5.04917321 +1   0.34967763 +1
  S     0.46173788 +1   0.41401570 +1  -2.33127131 +1
  S     0.01568171 +1  -2.36173460 +1   0.46822140 +1
  H     3.01734309 +1  -0.43070784 +1  -0.74223524 +1
  H     2.19568109 +1   2.13410616 +1  -0.72131289 +1
  H     0.86080189 +1   2.54032087 +1   1.60526787 +1
  H     0.97277537 +1   0.26601301 +1   3.03512295 +1
  H     2.41718180 +1  -1.52451790 +1   1.64184377 +1
  H    -2.74420979 +1  -1.80905511 +1   0.01404380 +1
  H    -2.20875909 +1  -0.39199375 +1   2.23254759 +1
  H    -1.67094017 +1   2.14461948 +1   1.48457318 +1
  H    -1.79552263 +1   2.25841972 +1  -1.22486075 +1
  H    -2.39971329 +1  -0.20446073 +1  -2.11219254 +1
  H     1.32134140 +1  -0.01887494 +1  -5.90452269 +1
  H    -0.06820414 +1   0.77746045 +1  -5.15621231 +1
  H     1.56736013 +1   1.31952359 +1  -4.77910477 +1
  H    -0.83574077 +1  -4.85339375 +1  -2.23892134 +1
  H    -1.88950288 +1  -4.18856397 +1  -0.98883670 +1
  H    -1.13095719 +1  -3.11401879 +1  -2.16372787 +1
  H     2.57457407 +1  -1.70179326 +1  -2.74639731 +1
  H     3.14333426 +1  -0.19545707 +1  -3.47183920 +1
  H     2.82271860 +1  -1.60018657 +1  -4.49067323 +1
  H     0.16417401 +1  -2.53956746 +1  -3.35451401 +1
  H     0.33020941 +1  -2.21337697 +1  -5.07717117 +1
  H    -0.95998625 +1  -1.43500671 +1  -4.16465665 +1
  H     2.41696514 +1  -3.68921609 +1  -0.72606546 +1
  H     1.57621977 +1  -2.92658011 +1  -2.08163047 +1
  H     1.71632976 +1  -4.68345580 +1  -2.00223264 +1
  H     1.15558699 +1  -4.99402211 +1   1.02340915 +1
  H     0.36323844 +1  -5.99874632 +1  -0.19401209 +1
  H    -0.60557440 +1  -5.10389163 +1   0.98105429 +1