Accuracy

dibenzene molybdenum   4798 Dibenzene molybdenum

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    #  Species Formula
  4788 Nb(V)Br6 (Geo)Br6Nb
  4789 Niobium(V) hexabromide, anionBr6Nb
  4790 Nb(IV)Br6 2T2gBr6Nb
  4791 Nb6Cl12, dicationCl12Nb6
  4792 Nb6Br12, dicationBr12Nb6
  4793 Molybdenum, dicationMo
  4794 Molybdenum, cationMo
  4795 Molybdenum, atomMo
  4796 Bicyclopentadienyl molybdenum dihydrideC10H12Mo
  4797 Bicyclopentadienyl molybdenum dihydride (Geo)C10H12Mo
  4798 Dibenzene molybdenum C12H12Mo
  4799 Bicyclopentadienyl ethylene molybdenumC12H14Mo
  4800 Bicyclopentadienyl dimethyl molybdenumC12H16Mo
  4801 Bicyclopentadienyl diethyl molybdenumC14H20Mo
  4802 Molybdenum(III) tetracyanide 2EC4N4Mo
  4803 Mo(NMe2)4, tripletC8H24N4Mo
  4804 Mo(II)(NH3)6H18N6Mo
  4805 Mo(II)(NH3)6 (Geo)H18N6Mo
  4806 Mo(III)(CN)6 4A2gC6N6Mo
  4807 Mo(VI)C5O (ACESEG) (Geo)C6H18OMo
  4808 Mo(VI)C5O (ACESEG)C6H18OMo


ΔHf: 95.9 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 PM7
Dibenzene molybdenum
 H=95.9 HR=NIST
 Mo     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 XX     1.40000000 +0    0.0000000 +0    0.0000000 +0     1     0     0
 XX     1.00000000 +0   90.0000000 +0    0.0000000 +0     1     2     0
  C     1.42138293 +1  112.1918567 +1   12.5586006 +1     2     1     3
  C     1.54136768 +1  106.9248880 +1   73.1604604 +1     2     1     3
  C     1.61396485 +1   99.6321269 +1  128.2803445 +1     2     1     3
  C     1.58800105 +1  102.9727335 +1 -177.0627410 +1     2     1     3
  C     1.47915469 +1  110.4135471 +1 -120.0000000 +0     2     1     3
  C     1.38037890 +1  112.1799049 +1  -55.0506941 +1     2     1     3
  H     2.48775330 +1  106.0181400 +1   10.0751185 +1     2     1     3
  H     2.60883460 +1  100.9788666 +1   70.7386638 +1     2     1     3
  H     2.68896516 +1   95.4833850 +1  127.8362686 +1     2     1     3
  H     2.66006688 +1   97.9262725 +1 -175.6026305 +1     2     1     3
  H     2.54382298 +1  104.0267317 +1 -117.0369239 +1     2     1     3
  H     2.45029642 +1  106.5403167 +1  -54.1234397 +1     2     1     3
 XX     1.63000000 +0   90.0000000 +0 -176.5748975 +1     1     3     2
 XX     1.00000000 +0   90.0000000 +0   27.0310000 +1     1     3     2
  C     1.49746047 +1   95.0119409 +1   25.9466200 +1    16     1    17
  C     1.55028146 +1   94.7169635 +1   82.7067918 +1    16     1    17
  C     1.50612417 +1   97.8217451 +1  138.2407186 +1    16     1    17
  C     1.40908039 +1   98.5251606 +1 -162.3266141 +1    16     1    17
  C     1.34552870 +1  103.2287619 +1  -97.9943106 +1    16     1    17
  C     1.39028591 +1  102.7823057 +1  -33.7425986 +1    16     1    17
  H     2.58131636 +1   94.0672251 +1   24.5146299 +1    16     1    17
  H     2.63658572 +1   93.0354743 +1   82.3253110 +1    16     1    17
  H     2.59166963 +1   95.3353752 +1  139.8916066 +1    16     1    17
  H     2.49225228 +1   97.3806315 +1 -160.4408900 +1    16     1    17
  H     2.43101581 +1  100.8185157 +1  -98.1030435 +1    16     1    17
  H     2.47524206 +1   99.7784828 +1  -35.4085301 +1    16     1    17