PM7 Accuracy

cis-2-butene    126 cis-2-Butene

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    #  Species Formula
   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-Butene C4H8
   127 Cyclobutane (Geo)C4H8
   128 CyclobutaneC4H8
   129 Isobutene (Geo)C4H8
   130 IsobuteneC4H8
   131 trans-2-Butene (Geo)C4H8
   132 trans-2-ButeneC4H8
   133 Isobutyl, cationC4H9
   134 IsobutylC4H9
   135 n-Butane (Geo)C4H10
   136 Isobutane (Geo)C4H10


DHf: -1.9 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 SYMMETRY PM7
cis-2-Butene
 HR=C&P1970 H=-1.86,0.20
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.33814598  1    0.0000000  0    0.0000000  0     1     0     0
 XX     1.00000000  0   90.0000000  0    0.0000000  0     2     1     0
  C     1.48914231  1  123.8441220  1    0.0001906  1     2     1     3
  C     1.48914231  0  123.8441220  0    0.0001906  0     1     2     3
  H     1.08851132  1  120.9708016  1  179.9995720  1     1     2     3
  H     1.08851132  0  120.9708016  0  179.9995720  0     2     1     3
  H     1.10018514  1  111.3406254  1   59.6245808  1     4     2     1
  H     1.09696669  1  112.4412045  1 -179.9657206  1     4     2     1
  H     1.10018384  1  111.3423996  1  -59.5541799  1     4     2     1
  H     1.10018514  0  111.3406254  0   59.6245808  0     5     1     2
  H     1.09696669  0  112.4412045  1 -179.9657206  0     5     1     2
  H     1.10018384  1  111.3423996  1  -59.5541799  0     5     1     2
 
   9  1   10
   9  2   10
  13  1   14
  13  2   14