PM7 Accuracy

n-hexadecylcyclohexane    413 n-Hexadecylcyclohexane

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    #  Species Formula
   403 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   404 TetradecylcyclohexaneC20H40
   405 EicosaneC20H42
   406 1,8-ParacyclophaneC21H26
   407 HexadecylcyclopentaneC21H42
   408 PentadecylcyclohexaneC21H42
   409 Tri-n-heptylboraneH45BC21
   410 1,1'-Diphenyl-1,1'-bicyclopentylC22H26
   411 DL-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   412 Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   413 n-Hexadecylcyclohexane C22H44
   414 p-QuaterphenylC24H18
   415 1,1'-Diphenyl-1,1'-bicyclohexylC24H30
   416 6,6'-ParacyclophaneC24H32
   417 Tri-n-octylboraneH51BC24
   418 TetraphenylmethaneC25H20
   419 9,9'-Bi-9H-fluoreneC26H18
   420 1,1,1,2-TetraphenylethaneC26H22
   421 1,1,2,2-TetraphenylethaneC26H22
   422 Pentacyclo hexacosa nonaneC26H26
   423 2,3-Dimethyl-2,3-bis(4-t-butylphenyl)butaneC26H38


DHf: -110.1 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
n-Hexadecylcyclohexane
 H=-110.06 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53412145  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53434326  1  110.5906200  1    0.0000000  0     2     1     0
  C     1.53457345  1  110.4598832  1  -57.0527278  1     3     2     1
  C     1.53432023  1  110.5762036  1   57.0036931  1     4     3     2
  C     1.53915421  1  110.4590255  1  -58.0053020  1     5     4     3
  C     1.53921231  1  111.0081715  1  179.7566850  1     6     5     4
  C     1.53380897  1  111.5962567  1   73.6538829  1     7     6     5
  C     1.53424785  1  110.6433385  1 -179.4399249  1     8     7     6
  C     1.53395953  1  110.6261448  1 -178.9840561  1     9     8     7
  C     1.53392511  1  110.7273912  1 -179.8054515  1    10     9     8
  C     1.53397767  1  110.6908284  1 -179.5576968  1    11    10     9
  C     1.53400479  1  110.7191805  1  179.9438742  1    12    11    10
  C     1.53398709  1  110.6885268  1 -179.7568148  1    13    12    11
  C     1.53400718  1  110.7117048  1  179.8926335  1    14    13    12
  C     1.53397614  1  110.6901699  1 -179.8408588  1    15    14    13
  C     1.53401263  1  110.7086845  1  179.8984762  1    16    15    14
  C     1.53404339  1  110.6883684  1 -179.8975231  1    17    16    15
  C     1.53402005  1  110.7034577  1  179.9657548  1    18    17    16
  C     1.53387668  1  110.7023493  1 -179.8837311  1    19    18    17
  C     1.53469674  1  110.7878627  1 -179.9341540  1    20    19    18
  C     1.52876632  1  110.8904934  1 -179.8895475  1    21    20    19
  H     1.10445889  1  109.9943367  1  179.7973201  1     1     2     3
  H     1.10508477  1  110.0125011  1  -63.5410471  1     1     2     3
  H     1.10576514  1  109.9406348  1 -121.5902031  1     2     1     3
  H     1.10485085  1  110.0473326  1  121.9043529  1     2     1     3
  H     1.10461937  1  110.1831749  1 -178.9792888  1     3     2     1
  H     1.10580193  1  109.9232364  1   64.3843468  1     3     2     1
  H     1.10556595  1  109.9615329  1  -64.6274209  1     4     3     2
  H     1.10493384  1  110.0945902  1  178.8070954  1     4     3     2
  H     1.10458654  1  109.9887840  1 -179.8885642  1     5     4     3
  H     1.10512666  1  109.9885620  1   63.6005045  1     5     4     3
  H     1.11530793  1  108.8441816  1  -60.2196606  1     6     5     4
  H     1.10508739  1  110.0118504  1  -49.0076961  1     7     6     5
  H     1.10648442  1  109.6645044  1 -164.9137974  1     7     6     5
  H     1.10591995  1  109.9464502  1   58.7778940  1     8     7     6
  H     1.10579092  1  110.2156691  1  -57.6273787  1     8     7     6
  H     1.10574281  1  109.9911029  1   59.2144141  1     9     8     7
  H     1.10563835  1  110.0355708  1  -57.1720441  1     9     8     7
  H     1.10588477  1  110.0009194  1   58.3927734  1    10     9     8
  H     1.10581631  1  110.0157533  1  -57.9540909  1    10     9     8
  H     1.10576449  1  110.0239793  1   58.5971139  1    11    10     9
  H     1.10575118  1  110.0087379  1  -57.7536598  1    11    10     9
  H     1.10586949  1  110.0035863  1   58.1373592  1    12    11    10
  H     1.10578301  1  110.0085554  1  -58.2089066  1    12    11    10
  H     1.10577627  1  110.0178148  1   58.3998845  1    13    12    11
  H     1.10577198  1  109.9981786  1  -57.9527523  1    13    12    11
  H     1.10585576  1  110.0060914  1   58.0824427  1    14    13    12
  H     1.10578432  1  110.0073578  1  -58.2654342  1    14    13    12
  H     1.10578880  1  110.0168191  1   58.3187095  1    15    14    13
  H     1.10577875  1  109.9983930  1  -58.0351556  1    15    14    13
  H     1.10584855  1  110.0103024  1   58.0866642  1    16    15    14
  H     1.10578913  1  110.0088238  1  -58.2630143  1    16    15    14
  H     1.10579632  1  110.0192531  1   58.2700447  1    17    16    15
  H     1.10577432  1  110.0035905  1  -58.0945960  1    17    16    15
  H     1.10582570  1  110.0185213  1   58.1584446  1    18    17    16
  H     1.10578696  1  110.0201288  1  -58.2052070  1    18    17    16
  H     1.10578812  1  110.0082527  1   58.2803273  1    19    18    17
  H     1.10576278  1  110.0001794  1  -58.0700929  1    19    18    17
  H     1.10567802  1  110.0622419  1   58.2479115  1    20    19    18
  H     1.10565885  1  110.0661077  1  -58.1036665  1    20    19    18
  H     1.10624088  1  109.9707506  1   58.2418973  1    21    20    19
  H     1.10621442  1  109.9671127  1  -58.0326625  1    21    20    19
  H     1.09548502  1  111.2519576  1 -179.8618162  1    22    21    20
  H     1.09562867  1  111.4360678  1   60.1877731  1    22    21    20
  H     1.09564798  1  111.4388798  1  -59.9070926  1    22    21    20