Accuracy

(e)-1,3,5-hexatriene    175 (E)-1,3,5-Hexatriene

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    #  Species Formula
   165 n-PentaneC5H12
   166 Neopentane (Geo)C5H12
   167 NeopentaneC5H12
   168 Lithium cyclopentadienide (Geo)H5LiC5
   169 Cyclopentadienylberyllium hydrideH6BeC5
   170 C6H5 radicalC6H5
   171 BenzeneC6H6
   172 Benzene (Geo)C6H6
   173 FulveneC6H6
   174 Fulvene (Geo)C6H6
   175 (E)-1,3,5-Hexatriene C6H8
   176 (Z)-1,3,5-HexatrieneC6H8
   177 1,3-CyclohexadieneC6H8
   178 1,4-CyclohexadieneC6H8
   179 1,2-DimethylcyclobuteneC6H10
   180 1,5-HexadieneC6H10
   181 1-Methyl cyclopenteneC6H10
   182 3-Methyl cyclopenteneC6H10
   183 4-Methyl cyclopenteneC6H10
   184 BicyclopropylC6H10
   185 Cyclohexene (Geo)C6H10


ΔHf: 40.1 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
(E)-1,3,5-Hexatriene
 H=40.1 HR=NIST
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.07888293 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.33700697 +1  123.8080033 +1    0.0000000 +0     2     1     0
  C     1.45625996 +1  122.6765886 +1   -0.0098384 +1     3     2     1
  C     1.34432927 +1  122.5069961 +1  179.9900755 +1     4     3     2
  C     1.45639494 +1  122.4214671 +1  179.9893493 +1     5     4     3
  C     1.33684093 +1  122.7175103 +1  179.9960779 +1     6     5     4
  H     1.07896200 +1  112.8896462 +1  179.9978505 +1     2     1     3
  H     1.09258804 +1  121.0988902 +1 -179.9970204 +1     3     2     4
  H     1.09165559 +1  116.0483940 +1  179.9963861 +1     4     3     5
  H     1.09161996 +1  121.3792956 +1 -179.9979998 +1     5     4     6
  H     1.09254930 +1  116.0304000 +1  179.9968865 +1     6     5     7
  H     1.07874800 +1  123.9315972 +1   -0.0039919 +1     7     6     5
  H     1.07909008 +1  123.2024381 +1  179.9993352 +1     7     6    13