Accuracy

1-heptene    215 1-Heptene

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    #  Species Formula
   205 NorbornadieneC7H8
   206 TolueneC7H8
   207 1,2-Dimethyl cyclopenteneC7H12
   208 1-Ethyl cyclopenteneC7H12
   209 1-Methyl cyclohexeneC7H12
   210 NorbornaneC7H12
   211 1,1-Dimethyl cyclopentaneC7H14
   212 1,2-cis-Dimethyl cyclopentaneC7H14
   213 1,2-trans-Dimethyl cyclopentaneC7H14
   214 1,3-cis-Dimethyl cyclopentaneC7H14
   215 1-Heptene C7H14
   216 Ethyl cyclopentaneC7H14
   217 Methyl-cyclohexaneC7H14
   218 2,2,3-Trimethyl butaneC7H16
   219 2,2-Dimethyl pentaneC7H16
   220 2,3-Dimethyl pentaneC7H16
   221 2,4-Dimethyl pentaneC7H16
   222 2-Methyl hexaneC7H16
   223 3,3-Dimethyl pentaneC7H16
   224 3-Ethyl pentaneC7H16
   225 3-Methyl hexaneC7H16


ΔHf: -14.9 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
1-Heptene
 H=-14.89 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52894233 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53437797 +1  110.9456888 +1    0.0000000 +0     2     1     0
  C     1.53351619 +1  110.7319816 +1  179.9111291 +1     3     2     1
  C     1.53481233 +1  110.7592134 +1  179.9832684 +1     4     3     2
  C     1.49527063 +1  112.0129826 +1  179.9099321 +1     5     4     3
  C     1.33321485 +1  122.6041458 +1  179.8889096 +1     6     5     4
  H     1.09559843 +1  111.4729691 +1   60.1622594 +1     1     2     3
  H     1.09561719 +1  111.4814897 +1 -120.1562501 +1     1     2     8
  H     1.09559970 +1  111.2072438 +1 -119.9228973 +1     1     2     9
  H     1.10647531 +1  109.8967408 +1  122.0170481 +1     2     1     3
  H     1.10650349 +1  109.8895662 +1  116.0574292 +1     2     1    11
  H     1.10601658 +1  109.8891106 +1 -122.0302855 +1     3     2     4
  H     1.10606243 +1  109.8737462 +1 -116.0344197 +1     3     2    13
  H     1.10634942 +1  109.9517203 +1  121.8932731 +1     4     3     5
  H     1.10637012 +1  109.9469793 +1  116.3089703 +1     4     3    15
  H     1.11063056 +1  109.7324785 +1 -122.4618027 +1     5     4     6
  H     1.11050690 +1  109.7435310 +1 -115.1031948 +1     5     4    17
  H     1.08915592 +1  115.6966842 +1  179.9934833 +1     6     5     7
  H     1.07735996 +1  123.9545805 +1   -0.0076956 +1     7     6     5
  H     1.07768714 +1  123.4446500 +1 -179.9991355 +1     7     6    20