Accuracy

bicycbutr    115 Bicyclobutane (Geo)

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    #  Species Formula
   105 Diacetylene (Geo)C4H2
   106 DiacetyleneC4H2
   107 CH2=C=C=CH2 (Geo)C4H4
   108 CH2=C=C=CH2C4H4
   109 Vinylacetylene (Geo)C4H4
   110 VinylacetyleneC4H4
   111 1,2-ButadieneC4H6
   112 1,3-ButadieneC4H6
   113 1-ButyneC4H6
   114 2-ButyneC4H6
   115 Bicyclobutane (Geo) C4H6
   116 BicyclobutaneC4H6
   117 2-Butyne (Geo)C4H6
   118 CyclobuteneC4H6
   119 Methyl cyclopropeneC4H6
   120 MethylenecyclopropaneC4H6
   121 1,3-Butadiene (Geo)C4H6
   122 2-Butenyl, cationC4H7
   123 Cyclobutyl, cationC4H7
   124 1-ButeneC4H8
   125 1-Butene (Geo)C4H8


REF: K. W. Cox, M. D. Harmony, G. Nelson, K. B. Wiburg, J. Chem. Phys., 50, 1976 (1969).
  
 PM7
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