Accuracy

heptadecane    377 Heptadecane

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    #  Species Formula
   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-HexadeceneC16H32
   373 DecylcyclohexaneC16H32
   374 n-UndecylcyclopentaneC16H32
   375 n-DodecylcyclopentaneC17H34
   376 UndecylcyclohexaneC17H34
   377 Heptadecane C17H36
   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
   383 DodecylcyclohexaneC18H36
   384 n-TridecylcyclopentaneC18H36
   385 1,1,2,2-Tetra-t-butylethaneC18H38
   386 OctadecaneC18H38
   387 TriphenylboraneH15BC18


ΔHf: -94.2 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.
  
 INT PM7
Heptadecane
 H=-94.15 HR=NIST
  C     0.00000000 +1   0.00000000 +1   0.00000000 +1
  C     1.52884609 +1   0.00000000 +1   0.00000000 +1
  C     2.07736003 +1   1.43316752 +1   0.00000000 +1
  C     3.61122317 +1   1.42772503 +1   0.00131406 +1
  C     4.15941616 +1   2.86043775 +1  -0.00078918 +1
  C     5.69341354 +1   2.85305054 +1   0.00166875 +1
  C     6.24302063 +1   4.28519132 +1  -0.00245663 +1
  C     7.77694868 +1   4.27647111 +1   0.00097225 +1
  C     8.32782268 +1   5.70811640 +1  -0.00504540 +1
  C     9.86174903 +1   5.69820315 +1  -0.00044402 +1
  C    10.41363574 +1   7.12943731 +1  -0.00846358 +1
  H    -0.40052367 +1   0.50938448 +1   0.88346672 +1
  H    -0.40035605 +1   0.50889024 +1  -0.88381703 +1
  H    -0.39670337 +1  -1.02110097 +1   0.00021313 +1
  H     1.90627214 +1  -0.54956924 +1   0.88287752 +1
  H     1.90613034 +1  -0.54931095 +1  -0.88310019 +1
  H     1.70050421 +1   1.98159158 +1  -0.88305913 +1
  H     1.69845439 +1   1.98237875 +1   0.88176615 +1
  H     3.98823959 +1   0.87721891 +1  -0.88064892 +1
  H     3.98708615 +1   0.87942901 +1   0.88505911 +1
  H     3.78462890 +1   3.40778833 +1  -0.88554199 +1
  H     3.78132921 +1   3.41172117 +1   0.88017868 +1
  H     6.06788462 +1   2.30578581 +1   0.88666212 +1
  H     6.07035881 +1   2.30056448 +1  -0.87909687 +1
  H     5.86943109 +1   4.83156560 +1  -0.88833858 +1
  H     5.86507282 +1   4.83841413 +1   0.87736465 +1
  H     8.15049060 +1   3.73030676 +1   0.88703808 +1
  H     8.15408334 +1   3.72228202 +1  -0.87863234 +1
  H     7.95534016 +1   6.25336977 +1  -0.89208923 +1
  H     7.94970611 +1   6.26307892 +1   0.87360544 +1
  H    10.23417287 +1   5.15329680 +1   0.88686748 +1
  H    10.23913348 +1   5.14219762 +1  -0.87878164 +1
  H    10.04234127 +1   7.67339099 +1  -0.89682060 +1
  H    10.03511863 +1   7.68623922 +1   0.86885499 +1
  C    11.94755276 +1   7.11853884 +1  -0.00235320 +1
  C    12.50012477 +1   8.54955453 +1  -0.01269767 +1
  H    12.32555829 +1   6.56060518 +1  -0.87918567 +1
  H    12.31884451 +1   6.57537058 +1   0.88649711 +1
  H    12.13016503 +1   9.09195283 +1  -0.90256778 +1
  H    12.12111339 +1   9.10842958 +1   0.86307742 +1
  C    14.03405824 +1   8.53808138 +1  -0.00491400 +1
  H    14.40403505 +1   7.99640721 +1   0.88537897 +1
  H    14.41266656 +1   7.97820051 +1  -0.88021394 +1
  C    14.58725387 +1   9.96866775 +1  -0.01729404 +1
  H    14.20819787 +1  10.52987210 +1   0.85682239 +1
  H    14.21848136 +1  10.51043379 +1  -0.90789663 +1
  C    16.12181274 +1   9.95890202 +1  -0.00840239 +1
  C    16.67635778 +1  11.38350380 +1  -0.02146312 +1
  H    16.49127609 +1   9.41746995 +1   0.88278458 +1
  H    16.50121200 +1   9.39768592 +1  -0.88303073 +1
  H    17.77181887 +1  11.38311513 +1  -0.01454087 +1
  H    16.34147677 +1  11.95166570 +1   0.85346600 +1
  H    16.35270495 +1  11.93087081 +1  -0.91369051 +1