Accuracy

bicycbutr     54 Bicyclobutane (Geo)

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    #  Species Formula
    44 Diacetylene (Geo)C4H2
    45 DiacetyleneC4H2
    46 CH2=C=C=CH2 (Geo)C4H4
    47 CH2=C=C=CH2C4H4
    48 Vinylacetylene (Geo)C4H4
    49 VinylacetyleneC4H4
    50 1-ButyneC4H6
    51 1,2-ButadieneC4H6
    52 2-ButyneC4H6
    53 1,3-ButadieneC4H6
    54 Bicyclobutane (Geo) C4H6
    55 BicyclobutaneC4H6
    56 2-Butyne (Geo)C4H6
    57 CyclobuteneC4H6
    58 Methyl cyclopropeneC4H6
    59 MethylenecyclopropaneC4H6
    60 1,3-Butadiene (Geo)C4H6
    61 2-Butenyl, cationC4H7
    62 Cyclobutyl, cationC4H7
    63 1-ButeneC4H8
    64 1-Butene (Geo)C4H8


REF: K. W. Cox, M. D. Harmony, G. Nelson, K. B. Wiburg, J. Chem. Phys., 50, 1976 (1969).
  

Bicyclobutane
 GR=CHNW1969 <C1-C2> <C1-C3> < > < > < > <C2-C3-C1-C4> <C1-H> < > < > <C2-H>
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.49800000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.49700000 +1   60.9979869 +1    0.0000000 +0     1     2     0
  C     1.51738810 +1   60.5283551 +1  121.7000000 +1     3     1     2
  H     1.07100000 +1  130.8593088 +1 -133.3919558 +1     1     2     3
  H     1.09300000 +1  119.1392824 +1  108.1357713 +1     2     1     3
  H     1.08773339 +1  121.0576841 +1 -109.4030418 +1     2     1     3
  H     1.05519126 +1  141.2037552 +1 -118.6436673 +1     3     1     2
  H     1.08658196 +1  118.8615363 +1  108.2514078 +1     4     3     1
  H     1.08641989 +1  120.5865157 +1 -109.4964758 +1     4     3     1