Accuracy

cyc5h6r     79 Cyclopentadiene (Geo)

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    #  Species Formula
    69 IsobuteneC4H8
    70 trans-2-Butene (Geo)C4H8
    71 trans-2-ButeneC4H8
    72 Isobutyl, cationC4H9
    73 IsobutylC4H9
    74 n-Butane (Geo)C4H10
    75 Isobutane (Geo)C4H10
    76 IsobutaneC4H10
    77 n-Butane, transC4H10
    78 Cyclopentadienyl, anionC5H5
    79 Cyclopentadiene (Geo) C5H6
    80 CyclopentadieneC5H6
    81 1,2-Dimethyl cyclopropeneC5H8
    82 1,4-PentadieneC5H8
    83 Bicyclo(2.1.0)-pentaneC5H8
    84 1,cis-3-PentadieneC5H8
    85 CyclopenteneC5H8
    86 1,trans-3-PentadieneC5H8
    87 IsopreneC5H8
    88 Methylene cyclobutaneC5H8
    89 Spiropentane (Geo)C5H8


REF: L. R. H. Scharpen, V. W. Laurie, J. Chem. Phys., 39, 1972 (1963).
  

Cyclopentadiene
 <C1-C2> <C2-C3> <> <> <> <> <C1-C5> GR=SL1963
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.34200000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.46900000 +1  109.3679963 +1    0.0000000 +0     2     1     0
  C     1.35314903 +1  109.0964215 +1   -0.0191524 +1     3     2     1
  C     1.50900000 +1  109.4049852 +1   -0.0144348 +1     4     3     2
  H     1.07045240 +1  128.9830908 +1 -179.9943463 +1     1     2     3
  H     1.07315700 +1  128.2055774 +1  179.9956856 +1     2     1     3
  H     1.07202623 +1  122.7095144 +1  179.9960050 +1     3     2     1
  H     1.06945647 +1  160.3953250 +1  179.9903738 +1     4     1     2
  H     1.10533152 +1  124.5217273 +1 -103.0351636 +1     5     3     2
  H     1.10531117 +1  124.5675194 +1  103.0606106 +1     5     3     2