PM7 Accuracy

1-heptene    216 1-Heptene

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    #  Species Formula
   206 NorbornadieneC7H8
   207 TolueneC7H8
   208 1,2-Dimethyl cyclopenteneC7H12
   209 1-Ethyl cyclopenteneC7H12
   210 1-Methyl cyclohexeneC7H12
   211 NorbornaneC7H12
   212 1,1-Dimethyl cyclopentaneC7H14
   213 1,2-cis-Dimethyl cyclopentaneC7H14
   214 1,2-trans-Dimethyl cyclopentaneC7H14
   215 1,3-cis-Dimethyl cyclopentaneC7H14
   216 1-Heptene C7H14
   217 Ethyl cyclopentaneC7H14
   218 Methyl-cyclohexaneC7H14
   219 2,2,3-Trimethyl butaneC7H16
   220 2,2-Dimethyl pentaneC7H16
   221 2,3-Dimethyl pentaneC7H16
   222 2,4-Dimethyl pentaneC7H16
   223 2-Methyl hexaneC7H16
   224 3,3-Dimethyl pentaneC7H16
   225 3-Ethyl pentaneC7H16
   226 3-Methyl hexaneC7H16


DHf: -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