PM7 Accuracy

1-hexadecene    374 1-Hexadecene

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    #  Species Formula
   364 FluorantheneC16H10
   365 PyreneC16H10
   366 2,7-DimethylphenanthreneC16H14
   367 4,5,9,10-TetrahydropyreneC16H14
   368 9,10-DimethylphenanthreneC16H14
   369 (2.2)MetaparacyclophaneC16H16
   370 [2.2]MetacyclophaneC16H16
   371 [2.2]ParacyclophaneC16H16
   372 1,2,3,6,7,8-HexahydropyreneC16H18
   373 Tricyclo[8.2.2.2]-hexadecaneC16H28
   374 1-Hexadecene C16H32
   375 DecylcyclohexaneC16H32
   376 n-UndecylcyclopentaneC16H32
   377 n-DodecylcyclopentaneC17H34
   378 UndecylcyclohexaneC17H34
   379 HeptadecaneC17H36
   380 p-TerphenylC18H14
   381 2,5-Diphenyl-1,5-hexadieneC18H18
   382 3,4,5,6-TetramethylphenanthreneC18H18
   383 [3.3]ParacyclophaneC18H20
   384 1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzeneC18H22


DHf: -59.4 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-Hexadecene
 H=-59.37 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53407476  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53374351  1  110.6707999  1    0.0000000  0     2     1     0
  C     1.53475178  1  110.7398178  1 -179.9924760  1     3     2     1
  C     1.49544096  1  112.0720289  1 -179.9186006  1     4     3     2
  C     1.33351420  1  122.5994124  1 -179.9400844  1     5     4     3
  C     1.53380595  1  110.7141728  1  179.9516551  1     1     2     3
  C     1.53387444  1  110.7076005  1  179.9310014  1     7     1     2
  C     1.53387076  1  110.7243323  1  179.9615182  1     8     7     1
  C     1.53388352  1  110.7161543  1  179.9373764  1     9     8     7
  C     1.53386595  1  110.7206664  1  179.9788438  1    10     9     8
  C     1.53394964  1  110.7141521  1  179.9523250  1    11    10     9
  C     1.53388375  1  110.7188087  1 -179.9998801  1    12    11    10
  C     1.53378691  1  110.7281891  1  179.9721582  1    13    12    11
  C     1.53453600  1  110.7996059  1 -179.9597953  1    14    13    12
  C     1.52865708  1  110.9283552  1 -179.9975507  1    15    14    13
  H     1.10589261  1  110.0412608  1  121.8624324  1     1     2     7
  H     1.10598144  1  110.0190927  1  116.3332223  1     1     2    17
  H     1.10592571  1  109.9859422  1  121.8916347  1     2     1     3
  H     1.10601710  1  109.9631794  1  116.2781756  1     2     1    19
  H     1.10617570  1  110.0068784  1 -121.8155028  1     3     2     4
  H     1.10585811  1  110.0560600  1 -121.8623679  1     7     1     8
  H     1.10596270  1  110.0264195  1 -116.3182976  1     7     1    22
  H     1.10587227  1  110.0398253  1  121.8694324  1     8     7     9
  H     1.10595093  1  110.0168477  1  116.3188962  1     8     7    24
  H     1.10583463  1  110.0392621  1 -121.8679878  1     9     8    10
  H     1.10594117  1  110.0121089  1 -116.3058662  1     9     8    26
  H     1.10585957  1  110.0365073  1  121.8727165  1    10     9    11
  H     1.10593571  1  110.0137224  1  116.3155206  1    10     9    28
  H     1.10582598  1  110.0413219  1 -121.8627939  1    11    10    12
  H     1.10593798  1  110.0127968  1 -116.3134382  1    11    10    30
  H     1.10584671  1  110.0452666  1  121.8658644  1    12    11    13
  H     1.10592051  1  110.0222359  1  116.3260651  1    12    11    32
  H     1.10580655  1  110.0307470  1 -121.8698627  1    13    12    14
  H     1.10592235  1  110.0043656  1 -116.2974039  1    13    12    34
  H     1.10572260  1  110.0905129  1  121.8752616  1    14    13    15
  H     1.10578282  1  110.0675796  1  116.3094822  1    14    13    36
  H     1.10626728  1  109.9961546  1 -121.9137492  1    15    14    16
  H     1.10637473  1  109.9716820  1 -116.2170049  1    15    14    38
  H     1.09566234  1  111.4492307  1  -59.9756837  1    16    15    14
  H     1.09565429  1  111.4381979  1  120.1211114  1    16    15    40
  H     1.09550266  1  111.2358510  1  119.9340002  1    16    15    41
  H     1.10626835  1  109.9851018  1 -116.4186817  1     3     2    21
  H     1.11025231  1  109.7733731  1  122.4345802  1     4     3     5
  H     1.11028492  1  109.7651406  1  115.1624925  1     4     3    44
  H     1.08933609  1  115.7606813  1 -179.9978502  1     5     4     6
  H     1.07784227  1  123.9264374  1    0.0027898  1     6     5     4
  H     1.07799944  1  123.4592124  1 -179.9995094  1     6     5    47