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

bicyclopentadienyl molybdenum dibromide   4887 Bicyclopentadienyl molybdenum dibromide

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    #  Species Formula
  4877 Mo(V)Cl4O(-) (IWELOL)OCl4Mo
  4878 Molybdenum pentachloride (Geo)Cl5Mo
  4879 Molybdenum(V) pentachlorideCl5Mo
  4880 Molybdenum(VI) hexachloride (Geo)Cl6Mo
  4881 Molybdenum(VI) hexachlorideCl6Mo
  4882 CrMo(ac)4 (Geo)C8H12O8CrMo
  4883 Molybdenum Chromium tetraacetateC8H12O8CrMo
  4884 Molybdenum(I) bromide (Geo)BrMo
  4885 Molybdenum(I) bromideBrMo
  4886 Molybdenum(II) dibromideBr2Mo
  4887 Bicyclopentadienyl molybdenum dibromide C10H10Br2Mo
  4888 Mo(Cp)2Br2C10H10Br2Mo
  4889 Molybdenum(VI) dibromide dioxideO2Br2Mo
  4890 Molybdenum(VI) dioxide dibromideO2Br2Mo
  4891 Molybdenum dioxide dibromide (Geo)O2Br2Mo
  4892 Mo(VI)O2Br2N2 (BPYRMO) (Geo)C10H8N2O2Br2Mo
  4893 Mo(VI)O2Br2N2 (BPYRMO)C10H8N2O2Br2Mo
  4894 Molybdenum(III) tribromideBr3Mo
  4895 Molybdenum(IV) tetrabromideBr4Mo
  4896 Mo(III)Br4S2(-) (CUVTUI) (Geo)C4H12S2Br4Mo
  4897 Mo(III)Br4S2(-) (CUVTUI)C4H12S2Br4Mo


ΔHf: 28.8 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=80 PULAY GNORM=0.1 UHF PM7
Bicyclopentadienyl molybdenum dibromide
 H=28.8 HR=NIST
 Mo     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.44984170 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.43845340 +1   68.5951545 +1    0.0000000 +0     2     1     0
  C     1.45495230 +1  106.9141213 +1   63.4755573 +1     3     2     1
  C     1.45418675 +1  108.2443041 +1   -2.4430815 +1     4     3     2
  C     1.41738765 +1   72.5525572 +1  119.3453038 +1     2     1     3
  H     1.08351863 +1  129.8615166 +1  122.3077319 +1     2     1     6
  H     1.07538279 +1  125.6909007 +1  167.4284710 +1     3     2     4
  H     1.07664303 +1  125.2000063 +1  167.4675256 +1     4     3     5
  H     1.07529477 +1  126.2503771 +1  168.8471869 +1     5     4     3
  H     1.08341146 +1  125.6770874 +1  127.5632384 +1     6     2     1
  C     2.44823060 +1  143.0705551 +1   81.3811758 +1     1     2     3
  C     1.41729731 +1   72.6812803 +1  159.6483568 +1    12     1     2
  C     1.44257597 +1  109.0525828 +1   59.6605459 +1    13    12     1
  C     1.45430072 +1  106.7317811 +1    1.0388378 +1    14    13    12
  C     1.43899649 +1   68.5829293 +1  119.2770198 +1    12     1    13
  H     1.08347110 +1  129.8551652 +1  118.3089176 +1    12     1    16
  H     1.08340859 +1  125.6835396 +1  172.8169062 +1    13    12    14
  H     1.07531300 +1  125.5858069 +1  166.9098901 +1    14    13    15
  H     1.07665389 +1  125.2445684 +1  165.3168730 +1    15    14    13
  H     1.07536408 +1  125.6712245 +1  129.1335629 +1    16    12     1
 Br     2.56443798 +1   74.2436778 +1   32.4373842 +1     1     2    12
 Br     2.56486240 +1   97.0902916 +1   79.0713135 +1     1     2    22