Accuracy

1-hexadecene    372 1-Hexadecene

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


ΔHf: -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