Accuracy

(z)-1,3,5-hexatriene    106 (Z)-1,3,5-Hexatriene

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    #  Species Formula
    96 trans-2-PenteneC5H10
    97 IsopentaneC5H12
    98 n-PentaneC5H12
    99 Neopentane (Geo)C5H12
   100 NeopentaneC5H12
   101 BenzeneC6H6
   102 Benzene (Geo)C6H6
   103 FulveneC6H6
   104 Fulvene (Geo)C6H6
   105 (E)-1,3,5-HexatrieneC6H8
   106 (Z)-1,3,5-Hexatriene C6H8
   107 1,3-CyclohexadieneC6H8
   108 1,4-CyclohexadieneC6H8
   109 1-Methyl cyclopenteneC6H10
   110 1,2-DimethylcyclobuteneC6H10
   111 3-Methyl cyclopenteneC6H10
   112 1,5-HexadieneC6H10
   113 4-Methyl cyclopenteneC6H10
   114 BicyclopropylC6H10
   115 Cyclohexene (Geo)C6H10
   116 CyclohexeneC6H10


ΔHf: 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.
  

(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