Accuracy

tetradecylcyclohexane    402 Tetradecylcyclohexane

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    #  Species Formula
   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
   402 Tetradecylcyclohexane C20H40
   403 EicosaneC20H42
   404 1,8-ParacyclophaneC21H26
   405 HexadecylcyclopentaneC21H42
   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


ΔHf: -100.2 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
Tetradecylcyclohexane
 H=-100.21 HR=NIST
  C     0.00000000 +1   0.00000000 +1   0.00000000 +1
  C     1.53408069 +1   0.00000000 +1   0.00000000 +1
  C     2.07551675 +1   1.43586834 +1   0.00000000 +1
  C     1.52966551 +1   2.21723135 +1  -1.20260998 +1
  C    -0.00429265 +1   2.20861964 +1  -1.20395299 +1
  C    -0.53602523 +1   0.76454406 +1  -1.22537291 +1
  C    -2.07496644 +1   0.74466573 +1  -1.21793588 +1
  C    -2.65083759 +1   1.14526075 +1  -2.58155165 +1
  C    -4.18443594 +1   1.14339589 +1  -2.54204183 +1
  C    -4.76074528 +1   1.51126403 +1  -3.91494917 +1
  C    -6.29399450 +1   1.51552746 +1  -3.87612028 +1
  C    -6.86989948 +1   1.86996594 +1  -5.25272647 +1
  C    -8.40322204 +1   1.87370276 +1  -5.21451353 +1
  C    -8.97868797 +1   2.22052529 +1  -6.59325136 +1
  C   -10.51203003 +1   2.22182723 +1  -6.55601552 +1
  C   -11.08710937 +1   2.56442323 +1  -7.93604902 +1
  C   -12.62049997 +1   2.56355519 +1  -7.89971884 +1
  C   -13.19547603 +1   2.90461043 +1  -9.28004574 +1
  C   -14.72939050 +1   2.90229015 +1  -9.24629299 +1
  C   -15.30577539 +1   3.24184727 +1 -10.62093607 +1
  H    -0.37723872 +1  -1.03810539 +1  -0.00268823 +1
  H    -0.37778100 +1   0.46376442 +1   0.92928022 +1
  H     1.91034895 +1  -0.54425715 +1  -0.88617307 +1
  H     1.91359168 +1  -0.54907182 +1   0.88044173 +1
  H     3.17985206 +1   1.42552224 +1  -0.02324028 +1
  H     1.79181589 +1   1.94455108 +1   0.93985678 +1
  H     1.91076798 +1   1.77719771 +1  -2.14272022 +1
  H     1.90149576 +1   3.25756777 +1  -1.17846556 +1
  H    -0.38396391 +1   2.76810210 +1  -2.07780222 +1
  H    -0.38622074 +1   2.73863733 +1  -0.31246505 +1
  H    -0.16910173 +1   0.25779592 +1  -2.14861910 +1
  H    -2.45886539 +1   1.41717864 +1  -0.42904680 +1
  H    -2.43405472 +1  -0.26714096 +1  -0.94945379 +1
  H    -2.29078312 +1   0.45035802 +1  -3.36320208 +1
  H    -2.28262950 +1   2.14604422 +1  -2.87459107 +1
  H    -4.54451135 +1   1.85581488 +1  -1.77656679 +1
  H    -4.55507135 +1   0.14951039 +1  -2.22951107 +1
  H    -4.40378944 +1   0.79666764 +1  -4.67990966 +1
  H    -4.38713655 +1   2.50346339 +1  -4.22982817 +1
  H    -6.65240708 +1   2.23706659 +1  -3.11846264 +1
  H    -6.66790744 +1   0.52621306 +1  -3.55270182 +1
  H    -6.51212473 +1   1.14839427 +1  -6.01072030 +1
  H    -6.49668047 +1   2.85934337 +1  -5.57676198 +1
  H    -8.76222317 +1   2.59911402 +1  -4.46082779 +1
  H    -8.77663625 +1   0.88586195 +1  -4.88596307 +1
  H    -8.61912715 +1   1.49598272 +1  -7.34754488 +1
  H    -8.60693435 +1   3.20900630 +1  -6.92172261 +1
  H   -10.87277825 +1   2.94854715 +1  -5.80441301 +1
  H   -10.88414720 +1   1.23417127 +1  -6.22545581 +1
  H   -10.72614698 +1   1.83862023 +1  -8.68844405 +1
  H   -10.71683197 +1   3.55270005 +1  -8.26678093 +1
  H   -12.98257560 +1   3.29008635 +1  -7.14859033 +1
  H   -12.99128669 +1   1.57555087 +1  -7.56879036 +1
  H   -12.83348598 +1   2.17953414 +1 -10.03247891 +1
  H   -12.82667993 +1   3.89294490 +1  -9.61191113 +1
  H   -15.09296485 +1   3.62806415 +1  -8.49453114 +1
  H   -15.09948127 +1   1.91353372 +1  -8.91544971 +1
  H   -16.40100322 +1   3.24194444 +1 -10.60391620 +1
  H   -14.98821119 +1   2.51663437 +1 -11.37835119 +1
  H   -14.98143244 +1   4.23288336 +1 -10.95731347 +1