PM7 Accuracy

hexadecylcyclopentane    407 Hexadecylcyclopentane

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    #  Species Formula
   397 3,9-Dimethylbenz[a]anthraceneC20H16
   398 5,6-Dimethyl chryseneC20H16
   399 9,10-Dimethyl-1,2-benzanthraceneC20H16
   400 1,3,5-Tri-tert-butyl pentaleneC20H30
   401 HexacyclopropylethaneC20H30
   402 Tetra-tert-butyltetrahedraneC20H36
   403 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   404 TetradecylcyclohexaneC20H40
   405 EicosaneC20H42
   406 1,8-ParacyclophaneC21H26
   407 Hexadecylcyclopentane C21H42
   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-HexadecylcyclohexaneC22H44
   414 p-QuaterphenylC24H18
   415 1,1'-Diphenyl-1,1'-bicyclohexylC24H30
   416 6,6'-ParacyclophaneC24H32
   417 Tri-n-octylboraneH51BC24


DHf: -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