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

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


ΔHf: -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