Accuracy

mo(cp)2Cl2   4861 mo(cp)2Cl2

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    #  Species Formula
  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
  4861 mo(cp)2Cl2 C10H10Cl2Mo
  4862 Molybdenum(VI) dichloride dioxideO2Cl2Mo
  4863 Molybdenum(VI) dioxide dichlorideO2Cl2Mo
  4864 Molybdenum dioxide dichloride (Geo)O2Cl2Mo
  4865 Mo(VI)O2Cl2N2 (AGANIF) (Geo)C10H8N2O2Cl2Mo
  4866 Mo(VI)O2Cl2N2 (AGANIF)C10H8N2O2Cl2Mo
  4867 Mo(VI)O2Cl2N2 (AGANEB) (Geo)C8H6N4O2Cl2Mo
  4868 Mo(VI)O2Cl2N2 (AGANEB)C8H6N4O2Cl2Mo
  4869 Molybdenum(III) trichlorideCl3Mo
  4870 Mo(III)Cl3O3 (BOHYEC) (Geo)C3H12N6O3Cl3Mo
  4871 Molybdenum(IV) tetrachlorideCl4Mo


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.
  
 UHF PM7
mo(cp)2Cl2
 H=1.0 HR=NIST
 Mo     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.40891519 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.43099399 +1   95.8329278 +1    0.0000000 +0     1     2     0
  C     1.44258324 +1   68.5271400 +1 -167.6666333 +1     3     1     2
  C     1.45666299 +1  106.7981112 +1   63.4730907 +1     4     3     1
  C     1.45668685 +1  108.1935512 +1   -2.1501954 +1     5     4     3
  C     1.41672187 +1   73.0873953 +1  119.1279532 +1     3     1     4
  H     1.08462708 +1  128.0023969 +1  122.7308745 +1     3     1     7
  H     1.07508681 +1  125.5853484 +1  167.1522243 +1     4     3     5
  H     1.07629007 +1  125.2027378 +1  167.1330326 +1     5     4     6
  H     1.07511666 +1  126.2514043 +1  169.2358579 +1     6     5     4
  H     1.08455903 +1  125.9356206 +1  125.0957975 +1     7     3     1
  C     2.32833257 +1  129.9376202 +1  154.2571818 +1     1     2     3
  C     1.44253416 +1   76.2614401 +1  -16.0536202 +1    13     1     2
  C     1.41674355 +1  109.0772573 +1   62.2150089 +1    14    13     1
  C     1.44249194 +1  109.0882498 +1   -0.1044692 +1    15    14    13
  C     1.45654050 +1   69.7222244 +1  114.0514465 +1    13     1    14
  H     1.07507265 +1  129.6422807 +1  120.8420869 +1    13     1    17
  H     1.08453887 +1  124.8323463 +1  175.5224091 +1    14    13    15
  H     1.08453139 +1  125.9177250 +1  175.6636857 +1    15    14    16
  H     1.07517595 +1  125.5666213 +1  168.5870662 +1    16    15    14
  H     1.07629295 +1  125.2109428 +1  127.1767421 +1    17    13     1
 Cl     2.40887908 +1   82.5444925 +1  -81.7483010 +1     1     2    13