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

2-butenyl, cation    122 2-Butenyl, cation

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    #  Species Formula
   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, cation C4H7
   123 Cyclobutyl, cationC4H7
   124 1-ButeneC4H8
   125 1-Butene (Geo)C4H8
   126 cis-2-ButeneC4H8
   127 Cyclobutane (Geo)C4H8
   128 CyclobutaneC4H8
   129 Isobutene (Geo)C4H8
   130 IsobuteneC4H8
   131 trans-2-Butene (Geo)C4H8
   132 trans-2-ButeneC4H8


ΔHf: 200.0 kcal/mol,     REF: H. Halim, N. Heinrich, W. Koch, J. Schmidt, G. Frenking, J. Comp. Chem., 7, 93 (1986), references therein.
  
 CHARGE=1 PM7
2-Butenyl, cation
 H=200 HR=HHKS1986
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.36280584 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.40406012 +1  122.4398396 +1    0.0000000 +0     2     1     0
  C     1.44341725 +1  122.5364198 +1  180.0000000 +0     3     2     1
  H     1.09269356 +1  124.1781417 +1    0.0000000 +0     1     2     3
  H     1.09756543 +1  122.1704350 +1  180.0000000 +0     1     2     3
  H     1.10536381 +1  119.1190487 +1  180.0000000 +0     2     1     3
 XX     1.00000000 +0  119.6670776 +1    0.0000000 +0     3     2     1
  H     1.10897624 +1    0.0017884 +1   90.0000000 +0     3     8     2
  H     1.10986159 +1  115.3806496 +1  180.0000000 +0     4     3     2
 XX     1.00000000 +0  128.2527921 +1    0.7654374 +1     4     3     2
  H     1.12109268 +1   51.2135661 +1   90.7286886 +1     4    11     3
  H     1.12110864 +1   50.0532605 +1  -89.7942081 +1     4    11     3