PM7 Accuracy

trans-2-pentene    163 trans-2-Pentene

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    #  Species Formula
   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
   161 cis-DimethylcyclopropaneC5H10
   162 CyclopentaneC5H10
   163 trans-2-Pentene C5H10
   164 Neopentyl, anionC5H11
   165 IsopentaneC5H12
   166 n-PentaneC5H12
   167 Neopentane (Geo)C5H12
   168 NeopentaneC5H12
   169 Lithium cyclopentadienide (Geo)H5LiC5
   170 Cyclopentadienylberyllium hydrideH6BeC5
   171 C6H5 radicalC6H5
   172 BenzeneC6H6
   173 Benzene (Geo)C6H6


DHf: -7.9 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
trans-2-Pentene
 H=-7.9 HR=C&P1970
  C    -0.00470288  1  -0.00624243  1  -0.02905410  1
  C     1.48468717  1  -0.01911856  1  -0.00273579  1
  C     2.22690405  1   1.08607956  1  -0.11504550  1
  C     3.72179599  1   1.06849513  1  -0.07155601  1
  C     4.31075786  1   1.87021382  1  -1.23526947  1
  H     5.40478635  1   1.82053522  1  -1.23648972  1
  H     4.02628438  1   2.92631167  1  -1.18136083  1
  H     3.96093324  1   1.48314441  1  -2.19944387  1
  H     4.11531947  1   0.03262793  1  -0.09364890  1
  H     4.06649178  1   1.49459903  1   0.89458293  1
  H     1.78468094  1   2.07197414  1  -0.24116098  1
  H     1.92924966  1  -1.00504317  1   0.11709632  1
  H    -0.41936204  1  -0.40594118  1   0.90790158  1
  H    -0.38996101  1  -0.63078776  1  -0.84789082  1
  H    -0.42210311  1   0.99953430  1  -0.16464983  1