PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

but2yner    117 2-Butyne (Geo)

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    #  Species Formula
   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
   126 cis-2-ButeneC4H8
   127 Cyclobutane (Geo)C4H8


REF: T. Fukuyama, K. Kuchitsu, Y. Morino, Bull. Chem. Soc. Jap., 42, 379 (1969).
  
 PM7
2-Butyne
 GR=FKM1969 <C2-C3> <C1-C2> <C-H> <H-C-C>
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.21300000 +1    0.0000000 +0    0.0000000 +0     1     0     0
 XX     1.00000000 +0   90.0000000 +0    0.0000000 +0     2     1     0
 XX     1.00000000 +0   90.0000000 +0    0.0000000 +0     1     2     3
  C     1.46700000 +1   90.0000000 +0  180.0000000 +0     2     3     4
  H     1.11500000 +1  110.7000000 +1    0.0000000 +0     5     2     3
  H     1.09993167 +1  111.3819559 +1  120.0000000 +0     5     2     3
  H     1.09991288 +1  111.3757770 +1 -120.0000000 +0     5     2     3
  C     1.42890277 +1   90.0000000 +0  180.0000000 +0     1     4     3
  H     1.10548302 +1  111.8667551 +1   60.0000000 +0     9     1     4
  H     1.10548517 +1  111.8591163 +1  180.0000000 +0     9     1     4
  H     1.10550237 +1  111.8728433 +1  -60.0000000 +0     9     1     4