PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

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


ΔHf: -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