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

bicyclopentadienyl diethyl molybdenum   4803 Bicyclopentadienyl diethyl molybdenum

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    #  Species Formula
  4793 Nb6Cl12, dicationCl12Nb6
  4794 Nb6Br12, dicationBr12Nb6
  4795 Molybdenum, dicationMo
  4796 Molybdenum, cationMo
  4797 Molybdenum, atomMo
  4798 Bicyclopentadienyl molybdenum dihydrideC10H12Mo
  4799 Bicyclopentadienyl molybdenum dihydride (Geo)C10H12Mo
  4800 Dibenzene molybdenumC12H12Mo
  4801 Bicyclopentadienyl ethylene molybdenumC12H14Mo
  4802 Bicyclopentadienyl dimethyl molybdenumC12H16Mo
  4803 Bicyclopentadienyl diethyl molybdenum C14H20Mo
  4804 Molybdenum(III) tetracyanide 2EC4N4Mo
  4805 Mo(NMe2)4, tripletC8H24N4Mo
  4806 Mo(II)(NH3)6H18N6Mo
  4807 Mo(II)(NH3)6 (Geo)H18N6Mo
  4808 Mo(III)(CN)6 4A2gC6N6Mo
  4809 Mo(VI)C5O (ACESEG) (Geo)C6H18OMo
  4810 Mo(VI)C5O (ACESEG)C6H18OMo
  4811 Molybdenum(IV) oxideO2Mo
  4812 Dimethyl molybdenium(VI) dioxide (Geo)C2H6O2Mo
  4813 Mo(VI)C4O2 (ACESIK) (Geo)C6H18O2Mo


ΔHf: 70.2 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.
  
 PULAY SHIFT=80 PM7
Bicyclopentadienyl diethyl molybdenum
 H=70.2 HR=NIST
 Mo     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.45694849 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.41878706 +1   73.1984914 +1    0.0000000 +0     2     1     0
  C     1.43650655 +1  108.9883357 +1   59.7239937 +1     3     2     1
  C     1.45344473 +1  106.9334317 +1    0.6503750 +1     4     3     2
  C     1.43632526 +1   68.7433791 +1  118.8261784 +1     2     1     3
  H     1.07709880 +1  129.1222833 +1  118.1901384 +1     2     1     6
  H     1.07694611 +1  125.9309914 +1  173.8070331 +1     3     2     4
  H     1.07168115 +1  126.1150218 +1  168.6033411 +1     4     3     5
  H     1.07380974 +1  125.3207317 +1  166.8364915 +1     5     4     3
  H     1.07173063 +1  126.1081133 +1  128.1072645 +1     6     2     1
  C     2.45531834 +1  163.1337115 +1   88.3883485 +1     1     2     3
  C     1.41858060 +1   73.3609743 +1 -108.8275108 +1    12     1     5
  C     1.43584807 +1  108.9887740 +1   59.6390432 +1    13    12     1
  C     1.45337991 +1  106.9495871 +1    0.7919489 +1    14    13    12
  C     1.43702688 +1   68.7317625 +1  118.7540679 +1    12     1    13
  H     1.07693613 +1  129.1120058 +1  118.1532075 +1    12     1    16
  H     1.07708343 +1  125.9224797 +1  173.9713424 +1    13    12    14
  H     1.07173277 +1  126.1145461 +1  168.7179672 +1    14    13    15
  H     1.07384671 +1  125.3234238 +1  166.7929964 +1    15    14    13
  H     1.07165494 +1  126.1029415 +1  128.1683477 +1    16    12     1
  C     2.24739036 +1   94.0519439 +1  -72.9353760 +1     1     2     7
  C     2.24713670 +1   72.7684108 +1   76.6285054 +1     1     2    22
  H     1.09286052 +1  105.3556526 +1   15.2554317 +1    22     1     2
  H     1.09260264 +1  105.3431195 +1  112.3413480 +1    22     1    24
  C     1.51860136 +1  115.8695941 +1  123.8271948 +1    22     1    25
  H     1.09288635 +1  105.2593648 +1 -154.1846521 +1    23     1     2
  H     1.09273662 +1  105.4099748 +1  112.3007718 +1    23     1    27
  C     1.51860847 +1  115.8842059 +1  123.9090333 +1    23     1    28
  H     1.09603891 +1  111.7633558 +1  -60.1051174 +1    26    22     1
  H     1.09608479 +1  111.7395285 +1  120.3738360 +1    26    22    30
  H     1.09847282 +1  111.0422989 +1  119.8205793 +1    26    22    31
  H     1.09604331 +1  111.7604661 +1  -60.5327843 +1    29    23     1
  H     1.09601862 +1  111.7627972 +1  120.4011222 +1    29    23    33
  H     1.09851518 +1  111.0414843 +1  119.7958277 +1    29    23    34