Accuracy

mo(cp)2Br2   4886 Mo(Cp)2Br2

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    #  Species Formula
  4876 Molybdenum pentachloride (Geo)Cl5Mo
  4877 Molybdenum(V) pentachlorideCl5Mo
  4878 Molybdenum(VI) hexachloride (Geo)Cl6Mo
  4879 Molybdenum(VI) hexachlorideCl6Mo
  4880 CrMo(ac)4 (Geo)C8H12O8CrMo
  4881 Molybdenum Chromium tetraacetateC8H12O8CrMo
  4882 Molybdenum(I) bromide (Geo)BrMo
  4883 Molybdenum(I) bromideBrMo
  4884 Molybdenum(II) dibromideBr2Mo
  4885 Bicyclopentadienyl molybdenum dibromideC10H10Br2Mo
  4886 Mo(Cp)2Br2 C10H10Br2Mo
  4887 Molybdenum(VI) dibromide dioxideO2Br2Mo
  4888 Molybdenum(VI) dioxide dibromideO2Br2Mo
  4889 Molybdenum dioxide dibromide (Geo)O2Br2Mo
  4890 Mo(VI)O2Br2N2 (BPYRMO) (Geo)C10H8N2O2Br2Mo
  4891 Mo(VI)O2Br2N2 (BPYRMO)C10H8N2O2Br2Mo
  4892 Molybdenum(III) tribromideBr3Mo
  4893 Molybdenum(IV) tetrabromideBr4Mo
  4894 Mo(III)Br4S2(-) (CUVTUI) (Geo)C4H12S2Br4Mo
  4895 Mo(III)Br4S2(-) (CUVTUI)C4H12S2Br4Mo
  4896 Mo(VI)Br6 d0 (Geo)Br6Mo


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.
  
 UHF PM7
Mo(Cp)2Br2
 H=28.8 HR=NIST
 Mo     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.56445607 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.44188575 +1   96.2605972 +1    0.0000000 +0     1     2     0
  C     1.44065747 +1   68.5777303 +1 -168.2210948 +1     3     1     2
  C     1.45455977 +1  106.8018670 +1   63.6962374 +1     4     3     1
  C     1.45459396 +1  108.2509931 +1   -2.2854544 +1     5     4     3
  C     1.41720827 +1   73.1479109 +1  119.0253950 +1     3     1     4
  H     1.08344292 +1  129.7783831 +1  122.7670792 +1     3     1     7
  H     1.07522344 +1  125.6354934 +1  167.0695901 +1     4     3     5
  H     1.07653027 +1  125.2184659 +1  167.5135579 +1     5     4     6
  H     1.07525231 +1  126.1687234 +1  169.3297987 +1     6     5     4
  H     1.08341663 +1  125.7042375 +1  127.3350245 +1     7     3     1
  C     2.33946258 +1  130.4063001 +1  155.1387196 +1     1     2     3
  C     1.44037561 +1   76.4353704 +1  -15.6885056 +1    13     1     2
  C     1.41733425 +1  109.0247756 +1   62.2514440 +1    14    13     1
  C     1.44091059 +1  109.0405859 +1   -0.0044384 +1    15    14    13
  C     1.45443279 +1   69.8098355 +1  113.9695008 +1    13     1    14
  H     1.07524603 +1  129.3722450 +1  120.7550280 +1    13     1    17
  H     1.08339297 +1  124.9090907 +1  173.2574323 +1    14    13    15
  H     1.08336734 +1  125.6895150 +1  173.2230806 +1    15    14    16
  H     1.07526570 +1  125.6155134 +1  168.4791471 +1    16    15    14
  H     1.07654880 +1  125.2205077 +1  126.7105088 +1    17    13     1
 Br     2.56437116 +1   81.5450666 +1  -82.0213062 +1     1     2    13