PM7 Accuracy

pentadecane    363 Pentadecane

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    #  Species Formula
   353 OctylcyclohexaneC14H28
   354 3,3,4,4-TetraethylhexaneC14H30
   355 OctamethylhexaneC14H30
   356 TetradecaneC14H30
   357 4-MethylphenanthreneC15H12
   358 1-MethyldiadamantaneC15H22
   359 3-MethyladamantaneC15H22
   360 4-MethyldiadamantaneC15H22
   361 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-IndeneC15H22
   362 n-NonylcyclohexaneC15H30
   363 Pentadecane C15H32
   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


DHf: -84.8 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
Pentadecane
 H=-84.81 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52880650  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53451642  1  110.9588248  1    0.0000000  0     2     1     0
  C     1.53383824  1  110.7310963  1 -179.8211800  1     3     2     1
  C     1.53396991  1  110.7602965  1 -179.8421132  1     4     3     2
  C     1.53398429  1  110.6530423  1 -179.8327338  1     5     4     3
  C     1.53394509  1  110.7445651  1 -179.8653907  1     6     5     4
  C     1.53392991  1  110.6607737  1 -179.8519590  1     7     6     5
  C     1.53393653  1  110.7428698  1 -179.8771750  1     8     7     6
  C     1.53393811  1  110.6674085  1 -179.8823508  1     9     8     7
  C     1.53398836  1  110.7306395  1 -179.8943685  1    10     9     8
  H     1.09564534  1  111.4349652  1  -59.9408017  1     1     2     3
  H     1.09563421  1  111.4261821  1  120.1072736  1     1     2    12
  H     1.09545082  1  111.2351594  1  119.9388226  1     1     2    13
  H     1.10626907  1  109.9710485  1  121.9280521  1     2     1     3
  H     1.10637855  1  109.9347951  1  116.1948775  1     2     1    15
  H     1.10567786  1  109.9796080  1  121.8972560  1     3     2     4
  H     1.10576596  1  109.9676384  1  116.2030370  1     3     2    17
  H     1.10585279  1  110.0149053  1 -121.8436519  1     4     3     5
  H     1.10592209  1  110.0147606  1 -116.3204506  1     4     3    19
  H     1.10579024  1  110.0366647  1  121.8275365  1     5     4     6
  H     1.10587981  1  110.0209991  1  116.3423193  1     5     4    21
  H     1.10584671  1  110.0308681  1  121.8614386  1     6     5     7
  H     1.10595075  1  109.9951691  1  116.3195590  1     6     5    23
  H     1.10579617  1  110.0432252  1  121.8259704  1     7     6     8
  H     1.10589846  1  110.0301720  1  116.3481330  1     7     6    25
  H     1.10584167  1  110.0358830  1  121.8609535  1     8     7     9
  H     1.10594692  1  110.0017484  1  116.3188269  1     8     7    27
  H     1.10579956  1  110.0429736  1  121.8277300  1     9     8    10
  H     1.10590613  1  110.0297238  1  116.3477695  1     9     8    29
  H     1.10583453  1  110.0424390  1  121.8549157  1    10     9    11
  H     1.10593955  1  110.0061605  1  116.3341399  1    10     9    31
  H     1.10588498  1  110.0349815  1  -58.0003496  1    11    10     9
  H     1.10583647  1  110.0529352  1  116.3519425  1    11    10    33
  C     1.53394217  1  110.6768126  1  121.8378703  1    11    10    34
  C     1.53383358  1  110.7301554  1 -179.9276009  1    35    11    10
  H     1.10582263  1  110.0208981  1 -121.8399416  1    35    11    36
  H     1.10590899  1  110.0164505  1 -116.3243323  1    35    11    37
  H     1.10577245  1  110.0772651  1  -58.0882701  1    36    35    11
  H     1.10571463  1  110.0940770  1  116.3286858  1    36    35    39
  C     1.53456251  1  110.7729102  1  121.8496669  1    36    35    40
  H     1.10635684  1  109.9840009  1  -58.0809174  1    41    36    35
  H     1.10625857  1  109.9936362  1  116.2380135  1    41    36    42
  C     1.52878109  1  110.9105852  1  121.8787834  1    41    36    43
  H     1.09567087  1  111.4334026  1   59.9799193  1    44    41    36
  H     1.09566041  1  111.4270549  1 -120.1096156  1    44    41    45
  H     1.09549030  1  111.2474959  1 -119.9365613  1    44    41    46