Accuracy

hexadecylcyclopentane    405 Hexadecylcyclopentane

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    #  Species Formula
   395 3,9-Dimethylbenz[a]anthraceneC20H16
   396 5,6-Dimethyl chryseneC20H16
   397 9,10-Dimethyl-1,2-benzanthraceneC20H16
   398 1,3,5-Tri-tert-butyl pentaleneC20H30
   399 HexacyclopropylethaneC20H30
   400 Tetra-tert-butyltetrahedraneC20H36
   401 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   402 TetradecylcyclohexaneC20H40
   403 EicosaneC20H42
   404 1,8-ParacyclophaneC21H26
   405 Hexadecylcyclopentane C21H42
   406 PentadecylcyclohexaneC21H42
   407 Tri-n-heptylboraneH45BC21
   408 1,1'-Diphenyl-1,1'-bicyclopentylC22H26
   409 DL-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   410 Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   411 n-HexadecylcyclohexaneC22H44
   412 p-QuaterphenylC24H18
   413 1,1'-Diphenyl-1,1'-bicyclohexylC24H30
   414 6,6'-ParacyclophaneC24H32
   415 Tri-n-octylboraneH51BC24


ΔHf: -99.3 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
Hexadecylcyclopentane
 H=-99.33 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.54159772 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53900635 +1  105.8550152 +1    0.0000000 +0     2     1     0
  C     1.54241428 +1  107.1345082 +1   17.9610058 +1     3     2     1
  C     1.54137241 +1  105.1231813 +1  -28.9846850 +1     1     2     3
  C     1.53400333 +1  113.7508640 +1 -154.1119121 +1     1     2     3
  C     1.53378585 +1  114.3984524 +1   60.2936300 +1     6     1     2
  C     1.53419973 +1  110.5274368 +1 -179.4453079 +1     7     6     1
  C     1.53400115 +1  110.5803292 +1 -179.8941139 +1     8     7     6
  C     1.53378858 +1  110.6781499 +1 -179.3395008 +1     9     8     7
  C     1.53390560 +1  110.6939390 +1 -179.9667572 +1    10     9     8
  C     1.53382168 +1  110.6927001 +1 -179.6653753 +1    11    10     9
  C     1.53391470 +1  110.6916798 +1 -179.9819734 +1    12    11    10
  C     1.53384130 +1  110.6909748 +1 -179.7031753 +1    13    12    11
  C     1.53389915 +1  110.6870723 +1 -179.9631380 +1    14    13    12
  C     1.53385134 +1  110.6921068 +1 -179.7526750 +1    15    14    13
  C     1.53395221 +1  110.6801235 +1 -179.9595172 +1    16    15    14
  C     1.53388376 +1  110.6914026 +1 -179.8175623 +1    17    16    15
  C     1.53381113 +1  110.6894069 +1 -179.9648132 +1    18    17    16
  C     1.53444193 +1  110.7744190 +1 -179.8970248 +1    19    18    17
  C     1.52882383 +1  110.8912906 +1 -179.9964346 +1    20    19    18
  H     1.11776936 +1  108.1474442 +1   86.4519655 +1     1     2     3
  H     1.09971322 +1  111.4144677 +1 -150.7888407 +1     2     1     5
  H     1.10276913 +1  111.0530336 +1   91.0046442 +1     2     1     5
  H     1.10213184 +1  110.7532278 +1 -102.7401882 +1     3     2     1
  H     1.10107660 +1  111.0109147 +1  139.4916188 +1     3     2     1
  H     1.10200052 +1  110.5906247 +1 -120.8616563 +1     4     3     2
  H     1.10118289 +1  111.1656368 +1  121.3814013 +1     4     3     2
  H     1.10268689 +1  111.0625648 +1  -91.0421535 +1     5     1     2
  H     1.09978890 +1  111.4045716 +1  150.7486795 +1     5     1     2
  H     1.10763437 +1  108.8417598 +1  -62.2578596 +1     6     1     2
  H     1.10778970 +1  108.8188037 +1 -177.1444970 +1     6     1     2
  H     1.10596337 +1  110.3044273 +1   58.7531198 +1     7     6     1
  H     1.10616880 +1  110.2723356 +1  -57.6440668 +1     7     6     1
  H     1.10574650 +1  110.0611178 +1   58.3460086 +1     8     7     6
  H     1.10580214 +1  110.0653357 +1  -58.0810763 +1     8     7     6
  H     1.10586358 +1  110.0439886 +1   58.8406006 +1     9     8     7
  H     1.10602348 +1  110.0159261 +1  -57.5253856 +1     9     8     7
  H     1.10581442 +1  110.0526903 +1   58.2234091 +1    10     9     8
  H     1.10589645 +1  110.0380312 +1  -58.1229655 +1    10     9     8
  H     1.10583806 +1  110.0453745 +1   58.5068725 +1    11    10     9
  H     1.10597648 +1  110.0143993 +1  -57.8418714 +1    11    10     9
  H     1.10584468 +1  110.0411418 +1   58.2069893 +1    12    11    10
  H     1.10592462 +1  110.0293235 +1  -58.1398132 +1    12    11    10
  H     1.10585231 +1  110.0416029 +1   58.4706952 +1    13    12    11
  H     1.10595925 +1  110.0174222 +1  -57.8800963 +1    13    12    11
  H     1.10585365 +1  110.0393062 +1   58.2217817 +1    14    13    12
  H     1.10592087 +1  110.0295251 +1  -58.1264618 +1    14    13    12
  H     1.10587415 +1  110.0393355 +1   58.4212049 +1    15    14    13
  H     1.10594932 +1  110.0225692 +1  -57.9296276 +1    15    14    13
  H     1.10585703 +1  110.0437764 +1   58.2279051 +1    16    15    14
  H     1.10591217 +1  110.0358020 +1  -58.1345383 +1    16    15    14
  H     1.10588345 +1  110.0458606 +1   58.3646724 +1    17    16    15
  H     1.10593427 +1  110.0358427 +1  -57.9984821 +1    17    16    15
  H     1.10584543 +1  110.0339468 +1   58.2117315 +1    18    17    16
  H     1.10588286 +1  110.0297421 +1  -58.1389119 +1    18    17    16
  H     1.10578561 +1  110.0842208 +1   58.2785412 +1    19    18    17
  H     1.10580099 +1  110.0844097 +1  -58.0633371 +1    19    18    17
  H     1.10628437 +1  110.0007598 +1   58.1336123 +1    20    19    18
  H     1.10629982 +1  109.9999934 +1  -58.1271875 +1    20    19    18
  H     1.09543538 +1  111.2549556 +1 -179.9712302 +1    21    20    19
  H     1.09567449 +1  111.4258567 +1   60.0733775 +1    21    20    19
  H     1.09564537 +1  111.4355037 +1  -60.0133942 +1    21    20    19