PM7 Accuracy

heptadecane    379 Heptadecane

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    #  Species Formula
   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-HexadeceneC16H32
   375 DecylcyclohexaneC16H32
   376 n-UndecylcyclopentaneC16H32
   377 n-DodecylcyclopentaneC17H34
   378 UndecylcyclohexaneC17H34
   379 Heptadecane C17H36
   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
   385 DodecylcyclohexaneC18H36
   386 n-TridecylcyclopentaneC18H36
   387 1,1,2,2-Tetra-t-butylethaneC18H38
   388 OctadecaneC18H38
   389 TriphenylboraneH15BC18


DHf: -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  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52884609  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53454771  1  110.9432688  1    0.0000000  0     2     1     0
  C     1.53387336  1  110.7399634  1  179.9475137  1     3     2     1
  C     1.53400969  1  110.7347470  1  179.9160077  1     4     3     2
  C     1.53401714  1  110.6620472  1  179.9544832  1     5     4     3
  C     1.53398572  1  110.7188243  1  179.9191117  1     6     5     4
  C     1.53395667  1  110.6688926  1  179.9614202  1     7     6     5
  C     1.53398390  1  110.7194448  1  179.9242496  1     8     7     6
  C     1.53396529  1  110.6746570  1  179.9534320  1     9     8     7
  C     1.53397342  1  110.7151051  1  179.9198518  1    10     9     8
  H     1.09563005  1  111.4423395  1  -60.0333426  1     1     2     3
  H     1.09562164  1  111.4330948  1   60.0672275  1     1     2     3
  H     1.09545461  1  111.2314232  1 -179.9880407  1     1     2     3
  H     1.10632251  1  109.9471811  1  121.9012340  1     2     1     3
  H     1.10632358  1  109.9393486  1 -121.8826707  1     2     1     3
  H     1.10570461  1  109.9622006  1  -58.1780032  1     3     2     1
  H     1.10576399  1  109.9612190  1   58.0375663  1     3     2     1
  H     1.10591911  1  109.9980721  1   58.1190813  1     4     3     2
  H     1.10585117  1  110.0187291  1  -58.2182187  1     4     3     2
  H     1.10582353  1  110.0150045  1  -58.2400393  1     5     4     3
  H     1.10587862  1  110.0179917  1   58.1143699  1     5     4     3
  H     1.10586642  1  110.0160501  1  -58.2168005  1     6     5     4
  H     1.10592796  1  109.9966968  1   58.1222415  1     6     5     4
  H     1.10583942  1  110.0226079  1  -58.2354369  1     7     6     5
  H     1.10588675  1  110.0263341  1   58.1256770  1     7     6     5
  H     1.10586696  1  110.0215950  1  -58.2132983  1     8     7     6
  H     1.10592058  1  110.0035701  1   58.1256404  1     8     7     6
  H     1.10584412  1  110.0205443  1  -58.2418770  1     9     8     7
  H     1.10588554  1  110.0259120  1   58.1183705  1     9     8     7
  H     1.10586805  1  110.0203095  1  -58.2213991  1    10     9     8
  H     1.10591055  1  110.0049426  1   58.1181972  1    10     9     8
  H     1.10585867  1  110.0197089  1  -58.2520986  1    11    10     9
  H     1.10588943  1  110.0278563  1   58.1079669  1    11    10     9
  C     1.53396790  1  110.6779158  1  179.9400220  1    11    10     9
  C     1.53403023  1  110.7041669  1  179.9070033  1    35    11    10
  H     1.10589933  1  110.0123714  1   58.1078976  1    35    11    10
  H     1.10586808  1  110.0248120  1  -58.2465692  1    35    11    10
  H     1.10586389  1  110.0267269  1  -58.2630399  1    36    35    11
  H     1.10588108  1  110.0376235  1   58.1080040  1    36    35    11
  C     1.53399613  1  110.6821503  1  179.9334023  1    36    35    11
  H     1.10585502  1  110.0168603  1  -58.2363357  1    41    36    35
  H     1.10587559  1  110.0059136  1   58.1075799  1    41    36    35
  C     1.53386963  1  110.7090312  1  179.9184341  1    41    36    35
  H     1.10576368  1  110.0804789  1   58.1202728  1    44    41    36
  H     1.10574706  1  110.0710069  1  -58.2285632  1    44    41    36
  C     1.53461571  1  110.7725073  1  179.9551627  1    44    41    36
  C     1.52878416  1  110.9003120  1  179.9697755  1    47    44    41
  H     1.10628480  1  109.9827522  1  -58.1480917  1    47    44    41
  H     1.10629203  1  109.9732592  1   58.1118752  1    47    44    41
  H     1.09548303  1  111.2442265  1  179.9635360  1    48    47    44
  H     1.09565241  1  111.4402778  1   60.0052969  1    48    47    44
  H     1.09564205  1  111.4288213  1  -60.0905295  1    48    47    44