Accuracy

n-tetradecylcyclopentane    391 n-Tetradecylcyclopentane

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    #  Species Formula
   381 [3.3]ParacyclophaneC18H20
   382 1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzeneC18H22
   383 DodecylcyclohexaneC18H36
   384 n-TridecylcyclopentaneC18H36
   385 1,1,2,2-Tetra-t-butylethaneC18H38
   386 OctadecaneC18H38
   387 TriphenylboraneH15BC18
   388 TricyclohexylboraneH33BC18
   389 Tri-n-hexylboraneH39BC18
   390 2,6-Diphenyl-1,6-heptadieneC19H20
   391 n-Tetradecylcyclopentane C19H38
   392 n-TridecylcyclohexaneC19H38
   393 NonadecaneC19H40
   394 9,10-Dihydro-9,10[1',2']benzanthraceneC20H14
   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


ΔHf: -89.5 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-Tetradecylcyclopentane
 H=-89.48 HR=NIST
  C     0.00000000 +1   0.00000000 +1   0.00000000 +1
  C     1.54162471 +1   0.00000000 +1   0.00000000 +1
  C     1.99791762 +1   1.47071207 +1   0.00000000 +1
  C     0.74438282 +1   2.31671269 +1   0.30829661 +1
  C    -0.44165730 +1   1.46125619 +1  -0.18241821 +1
  C     0.77011743 +1   3.68747128 +1  -0.37736302 +1
  C     1.83681537 +1   4.59906765 +1   0.24278965 +1
  C     1.85908249 +1   5.96185086 +1  -0.46125478 +1
  C     2.93311576 +1   6.86954898 +1   0.15225350 +1
  C     2.95961962 +1   8.23073321 +1  -0.55462962 +1
  C     4.04094428 +1   9.13498872 +1   0.05095230 +1
  C     4.07122947 +1  10.49363798 +1  -0.66084846 +1
  C     5.15400763 +1  11.39751300 +1  -0.05731609 +1
  C     5.19005173 +1  12.75252507 +1  -0.77576113 +1
  C     6.27271639 +1  13.65682100 +1  -0.17249813 +1
  C     6.31374481 +1  15.00876422 +1  -0.89648721 +1
  H    -0.40174753 +1  -0.64125418 +1  -0.79935668 +1
  H    -0.38719074 +1  -0.40861422 +1   0.94803339 +1
  H     1.93636214 +1  -0.53198224 +1  -0.88008736 +1
  H     1.93116014 +1  -0.53343235 +1   0.88183656 +1
  H     2.42166027 +1   1.74433339 +1  -0.98067295 +1
  H     2.79177588 +1   1.64912175 +1   0.74029588 +1
  H     0.66084063 +1   2.45856076 +1   1.40948909 +1
  H    -1.36065463 +1   1.68558107 +1   0.37824572 +1
  H    -0.66321554 +1   1.66879632 +1  -1.24264436 +1
  H    -0.22489698 +1   4.16401672 +1  -0.29226062 +1
  H     0.95514722 +1   3.56940949 +1  -1.46121838 +1
  H     1.64100848 +1   4.73235138 +1   1.32279320 +1
  H     2.83119956 +1   4.12028422 +1   0.17126800 +1
  H     0.86704691 +1   6.44421219 +1  -0.38514440 +1
  H     2.04978470 +1   5.82692150 +1  -1.54208436 +1
  H     2.74171105 +1   7.00715452 +1   1.23253614 +1
  H     3.92482001 +1   6.38577895 +1   0.07832277 +1
  H     1.97045355 +1   8.71852609 +1  -0.47480100 +1
  H     3.14386811 +1   8.09263534 +1  -1.63619393 +1
  H     3.85467567 +1   9.27733790 +1   1.13155181 +1
  H     5.02986832 +1   8.64607029 +1  -0.02534705 +1
  H     3.08304004 +1  10.98387563 +1  -0.58380763 +1
  H     4.25636570 +1  10.35100598 +1  -1.74167262 +1
  H     4.96562712 +1  11.54586026 +1   1.02212891 +1
  H     6.14159324 +1  10.90518707 +1  -0.12879548 +1
  H     4.20276975 +1  13.24550264 +1  -0.70481420 +1
  H     5.37904781 +1  12.60421143 +1  -1.85514791 +1
  H     6.08115746 +1  13.81032998 +1   0.90566898 +1
  H     7.25963091 +1  13.16243068 +1  -0.23863160 +1
  H     5.32696001 +1  15.50351547 +1  -0.83131540 +1
  H     6.50634349 +1  14.85545895 +1  -1.97452893 +1
  C     7.39552400 +1  15.91377740 +1  -0.29318141 +1
  H     8.38218645 +1  15.41835568 +1  -0.35313450 +1
  H     7.20109761 +1  16.07211723 +1   0.78371992 +1
  H     7.63912931 +1  17.10609512 +1  -2.09854622 +1
  C     7.44299817 +1  17.26359982 +1  -1.02096246 +1
  C     8.51875443 +1  18.16894653 +1  -0.42070065 +1
  H     6.45583908 +1  17.75953969 +1  -0.96294752 +1
  H     9.51237464 +1  17.71326751 +1  -0.49516149 +1
  H     8.32677761 +1  18.37024765 +1   0.63904612 +1
  H     8.55926475 +1  19.13398004 +1  -0.93746658 +1