PM7 Accuracy

(z)-1,3,5-hexatriene    177 (Z)-1,3,5-Hexatriene

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    #  Species Formula
   167 Neopentane (Geo)C5H12
   168 NeopentaneC5H12
   169 Lithium cyclopentadienide (Geo)H5LiC5
   170 Cyclopentadienylberyllium hydrideH6BeC5
   171 C6H5 radicalC6H5
   172 BenzeneC6H6
   173 Benzene (Geo)C6H6
   174 FulveneC6H6
   175 Fulvene (Geo)C6H6
   176 (E)-1,3,5-HexatrieneC6H8
   177 (Z)-1,3,5-Hexatriene C6H8
   178 1,3-CyclohexadieneC6H8
   179 1,4-CyclohexadieneC6H8
   180 1,2-DimethylcyclobuteneC6H10
   181 1,5-HexadieneC6H10
   182 1-Methyl cyclopenteneC6H10
   183 3-Methyl cyclopenteneC6H10
   184 4-Methyl cyclopenteneC6H10
   185 BicyclopropylC6H10
   186 Cyclohexene (Geo)C6H10
   187 CyclohexeneC6H10


DHf: 41.1 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
(Z)-1,3,5-Hexatriene
 H=41.1 HR=NIST
  H     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.07869628  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.33748318  1  123.8247125  1    0.0000000  0     2     1     0
  C     1.45532955  1  122.3225930  1    0.0016216  1     3     2     1
  C     1.34464423  1  125.3998716  1 -179.9539478  1     4     3     2
  C     1.45567948  1  125.3891294  1   -0.0022063  1     5     4     3
  C     1.33714665  1  122.5802214  1 -179.9991932  1     6     5     4
  H     1.07884460  1  112.8368756  1 -179.9903832  1     2     1     3
  H     1.09196651  1  120.8841618  1  179.9953614  1     3     2     4
  H     1.09461023  1  115.1733575  1 -179.9972256  1     4     3     5
  H     1.09472116  1  119.5590202  1  179.9959205  1     5     4     6
  H     1.09218641  1  116.4284248  1  179.9997435  1     6     5     7
  H     1.07855756  1  123.9612347  1   -0.0032755  1     7     6     5
  H     1.07897756  1  123.2099420  1  179.9973017  1     7     6    13