PM7 Accuracy

1,cis-3-pentadiene    150 1,cis-3-Pentadiene

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    #  Species Formula
   140 n-Butyl lithium (Geo)H9LiC4
   141 n-Butyl lithiumH9LiC4
   142 t-Butyl lithiumH9LiC4
   143 DiethylberylliumH10BeC4
   144 C4B2H6C4H6B2
   145 Cyclopentadienyl, anionC5H5
   146 Cyclopentadiene (Geo)C5H6
   147 CyclopentadieneC5H6
   148 1,2-Dimethyl cyclopropeneC5H8
   149 1,4-PentadieneC5H8
   150 1,cis-3-Pentadiene C5H8
   151 1,trans-3-PentadieneC5H8
   152 Bicyclo(2.1.0)-pentaneC5H8
   153 CyclopenteneC5H8
   154 IsopreneC5H8
   155 Methylene cyclobutaneC5H8
   156 Spiropentane (Geo)C5H8
   157 SpiropentaneC5H8
   158 Cyclopentyl, cationC5H9
   159 2-Methyl-2-buteneC5H10
   160 cis-2-PenteneC5H10


DHf: 19.1 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
1,cis-3-Pentadiene
 HR=C&P1970 H=19.1
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.33700671  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.45618643  1  122.6393562  1    0.0000000  0     2     1     0
  C     1.34081291  1  125.3546999  1  179.7656319  1     3     2     1
  C     1.48673800  1  126.1817717  1   -0.0124523  1     4     3     2
  H     1.07818257  1  123.3072929  1  179.9979722  1     1     2     3
  H     1.07805353  1  123.9140313  1   -0.0082778  1     1     2     3
  H     1.09199824  1  116.4311863  1   -0.2454073  1     2     3     4
  H     1.09398076  1  115.0944057  1   -0.2405391  1     3     2     1
  H     1.09310117  1  120.0756351  1  179.9993817  1     4     3     2
  H     1.09788538  1  113.5417590  1    0.2937353  1     5     4     3
  H     1.10086603  1  111.0104247  1  120.7747057  1     5     4     3
  H     1.10090830  1  111.0035127  1 -120.1863493  1     5     4     3