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

bicyclopentadienyl molybdenum dichloride   4862 Bicyclopentadienyl molybdenum dichloride

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    #  Species Formula
  4852 Bicyclopentadienyl dithioisopropyl molybdenumC16H24S2Mo
  4853 Bicyclopentadienyl dithiopropyl molybdenumC16H24S2Mo
  4854 Bicyclopentadienyl di(thio-n-butyl) molybdenumC18H28S2Mo
  4855 Bicyclopentadienyl di(thio-t-butyl) molybdenumC18H28S2Mo
  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 dichloride C10H10Cl2Mo
  4863 mo(cp)2Cl2C10H10Cl2Mo
  4864 Molybdenum(VI) dichloride dioxideO2Cl2Mo
  4865 Molybdenum(VI) dioxide dichlorideO2Cl2Mo
  4866 Molybdenum dioxide dichloride (Geo)O2Cl2Mo
  4867 Mo(VI)O2Cl2N2 (AGANIF) (Geo)C10H8N2O2Cl2Mo
  4868 Mo(VI)O2Cl2N2 (AGANIF)C10H8N2O2Cl2Mo
  4869 Mo(VI)O2Cl2N2 (AGANEB) (Geo)C8H6N4O2Cl2Mo
  4870 Mo(VI)O2Cl2N2 (AGANEB)C8H6N4O2Cl2Mo
  4871 Molybdenum(III) trichlorideCl3Mo
  4872 Mo(III)Cl3O3 (BOHYEC) (Geo)C3H12N6O3Cl3Mo


ΔHf: 1.0 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=10 PULAY UHF PM7
Bicyclopentadienyl molybdenum dichloride
 H=1.0 HR=NIST
 Mo     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.35898387 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.44710230 +1   70.4084226 +1    0.0000000 +0     2     1     0
  C     1.44546560 +1  107.9870241 +1   65.7772348 +1     3     2     1
  C     1.43631906 +1  107.4523234 +1    0.3682923 +1     4     3     2
  C     1.43610427 +1   75.5257204 +1  114.6610841 +1     2     1     3
  H     1.07571266 +1  128.2568488 +1 -120.9190718 +1     2     1     3
  H     1.07620717 +1  125.2798420 +1 -126.0320039 +1     3     2     1
  H     1.07598170 +1  126.1806782 +1  170.8682951 +1     4     3     2
  H     1.08150050 +1  125.1696862 +1  174.6314828 +1     5     4     3
  H     1.08177500 +1  125.2335011 +1  121.8484283 +1     6     2     1
  C     2.35858300 +1   96.2786650 +1   92.0517961 +1     1     2     3
  C     1.43465510 +1   75.4849421 +1 -150.5933989 +1    12     1     4
  C     1.42386020 +1  108.7179111 +1   62.6961389 +1    13    12     1
  C     1.43462886 +1  108.5860086 +1    0.8829172 +1    14    13    12
  C     1.44715794 +1   70.0700252 +1  -35.7658692 +1    12     1     4
  H     1.07544589 +1  128.3190275 +1   84.6208173 +1    12     1     4
  H     1.08150442 +1  125.2069190 +1 -121.7793201 +1    13    12     1
  H     1.08161307 +1  125.8596341 +1  175.8352547 +1    14    13    12
  H     1.07566338 +1  125.7159639 +1  169.9321772 +1    15    14    13
  H     1.07548407 +1  125.2989700 +1  126.1886913 +1    16    12     1
 Cl     2.33151751 +1   87.9516478 +1 -179.6850639 +1     1     2     3
 Cl     2.32971295 +1  131.2785708 +1  -95.6130961 +1     1     2     3