hc2 - Hexatriene to cycloheadiene TS      6 hc2 - Hexatriene to cyclohexadiene TS

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    #  Species Formula
    47 HClH TSH2Cl
    48 CH3 plus FCl - CH3F plus Cl TSCH3FCl
    49 F - CH3 - Cl(-) TS, forward reactionCH3FCl
    50 FCH3Cl TS 1CH3FCl
    51 Cl-CH3-Cl (-) TSCH3Cl2
     1 H plus C2H4 - CH3CH2 TSC2H5
     2 CH3 plus C2H4 - CH3CH2CH2 TSC3H7
     3 hc1 - Ring-opening cyclobutene TSC4H6
     4 hc5 - Cyclobutadiene TSC5H6
     5 hc4 - Pentadiene TSC5H8
     6 hc2 - Hexatriene to cyclohexadiene TS C6H8
     7 hc7 - Ethylene plus butadiene Diels-Alder TSC6H10
     8 hc6 - 1,5 Hexadiene TSC6H10
     9 hc8 - Cyclobutadiene plus ethylene TSC7H10
    10 hc3 - Dimethylene to cyclobuta - benzene TSC8H8
    11 hc10 - Cyclonona-1,4,7-triene TSC9H12
    12 hc9 - Two cyclopentadiene TSC10H12
    13 hc11 - Cycloduodeca-1,5,9-triene TSC12H18
    14 HCN - HNC TSHCN
    15 6b Formonitrile Ylide plus acetylene TSC4H5N
    16 6a Formonitrile Ylide plus ethylene TSC4H7N


ΔHf: 29.8 kcal/mol,     REF: Ess, D. H., Houk, K. N., Activation Energies of Pericyclic Reactions ... J. Phys. Chem. A 109 9542-9553 2005
  

      hc2 - Hexatriene to cycloheadiene TS
      h=29.8+"Hexatriene" hr=eh2005
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.40611400  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.38294200  1  120.9861510  1    0.0000000  0     2     1     0
  C     1.40614700  1  120.9586470  1   -0.0546980  1     3     2     1
  C     1.38279400  1  122.8978240  1  -41.4139110  1     4     3     2
  C     1.38278000  1  122.9662060  1   41.4564450  1     1     2     3
  H     1.09223500  1  117.0815620  1 -172.7495840  1     1     2     6
  H     1.09049800  1  118.6993250  1  166.5650760  1     2     1     3
  H     1.09046000  1  118.9369840  1  166.6016290  1     3     2     4
  H     1.09218300  1  117.0802310  1  172.6784340  1     4     3     5
  H     1.08411400  1  119.7894120  1  -53.9039560  1     5     4     3
  H     1.08069000  1  120.7197190  1 -149.3543260  1     5     4    11
  H     1.08425400  1  119.8009520  1   53.9991850  1     6     1     2
  H     1.08079500  1  120.6861650  1  149.2732240  1     6     1    13