Accuracy

n-hexadecylcyclohexane    411 n-Hexadecylcyclohexane

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    #  Species Formula
   401 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   402 TetradecylcyclohexaneC20H40
   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-Hexadecylcyclohexane C22H44
   412 p-QuaterphenylC24H18
   413 1,1'-Diphenyl-1,1'-bicyclohexylC24H30
   414 6,6'-ParacyclophaneC24H32
   415 Tri-n-octylboraneH51BC24
   416 TetraphenylmethaneC25H20
   417 9,9'-Bi-9H-fluoreneC26H18
   418 1,1,1,2-TetraphenylethaneC26H22
   419 1,1,2,2-TetraphenylethaneC26H22
   420 Pentacyclo hexacosa nonaneC26H26
   421 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 +1   0.00000000 +1   0.00000000 +1
  C     1.53412145 +1   0.00000000 +1   0.00000000 +1
  C     2.07373218 +1   1.43632500 +1   0.00000000 +1
  C     1.53038103 +1   2.21347422 +1  -1.20653400 +1
  C    -0.00392950 +1   2.20832098 +1  -1.20474433 +1
  C    -0.53709987 +1   0.76460867 +1  -1.22523309 +1
  C    -2.07616290 +1   0.74459487 +1  -1.21755256 +1
  C    -2.65294858 +1   1.16058505 +1  -2.57653763 +1
  C    -4.18670528 +1   1.14647340 +1  -2.54037555 +1
  C    -4.76306754 +1   1.53815562 +1  -3.90691257 +1
  C    -6.29657116 +1   1.52947824 +1  -3.87201870 +1
  C    -6.87204106 +1   1.91060367 +1  -5.24193304 +1
  C    -8.40564220 +1   1.90077497 +1  -5.20814513 +1
  C    -8.98035287 +1   2.27611405 +1  -6.57998500 +1
  C   -10.51396720 +1   2.26385603 +1  -6.54750629 +1
  C   -11.08813066 +1   2.63540553 +1  -7.92059408 +1
  C   -12.62175393 +1   2.62082384 +1  -7.88926058 +1
  C   -13.19542831 +1   2.98996770 +1  -9.26327646 +1
  C   -14.72906438 +1   2.97466340 +1  -9.23255664 +1
  C   -15.30263601 +1   3.34095881 +1 -10.60719147 +1
  C   -16.83700357 +1   3.32783377 +1 -10.57824281 +1
  C   -17.41119369 +1   3.68997469 +1 -11.94801874 +1
  H    -0.37764460 +1  -1.03788271 +1  -0.00367145 +1
  H    -0.37818781 +1   0.46264700 +1   0.92959350 +1
  H     1.91123859 +1  -0.54451657 +1  -0.88543826 +1
  H     1.91286025 +1  -0.54853714 +1   0.88111255 +1
  H     3.17816961 +1   1.42852769 +1  -0.01846919 +1
  H     1.78550517 +1   1.94713726 +1   0.93744010 +1
  H     1.90835319 +1   1.76675091 +1  -2.14453795 +1
  H     1.90546751 +1   3.25264665 +1  -1.18893929 +1
  H    -0.38441806 +1   2.76817999 +1  -2.07761189 +1
  H    -0.38243882 +1   2.73832012 +1  -0.31191929 +1
  H    -0.17120615 +1   0.25854208 +1  -2.14931651 +1
  H    -2.45902863 +1   1.40802848 +1  -0.42100513 +1
  H    -2.43406359 +1  -0.27044259 +1  -0.96081571 +1
  H    -2.28581646 +1   0.47943503 +1  -3.36666901 +1
  H    -2.29144639 +1   2.16846029 +1  -2.85272094 +1
  H    -4.55286606 +1   1.84040941 +1  -1.76124381 +1
  H    -4.54953282 +1   0.14341505 +1  -2.24940084 +1
  H    -4.39841050 +1   0.84189118 +1  -4.68487285 +1
  H    -4.39642225 +1   2.53958424 +1  -4.19938765 +1
  H    -6.66168511 +1   2.23088932 +1  -3.09908312 +1
  H    -6.66255029 +1   0.52998089 +1  -3.57243568 +1
  H    -6.50603448 +1   1.20904738 +1  -6.01446478 +1
  H    -6.50600252 +1   2.91018831 +1  -5.54126963 +1
  H    -8.77181214 +1   2.60493088 +1  -4.43819371 +1
  H    -8.77082418 +1   0.90205531 +1  -4.90494086 +1
  H    -8.61240630 +1   1.57249635 +1  -7.34969560 +1
  H    -8.61569984 +1   3.27527060 +1  -6.88243056 +1
  H   -10.88194007 +1   2.96905993 +1  -5.77935768 +1
  H   -10.87779216 +1   1.26517711 +1  -6.24251702 +1
  H   -10.71849017 +1   1.93079548 +1  -8.68857298 +1
  H   -10.72483595 +1   3.63451227 +1  -8.22485102 +1
  H   -12.99144261 +1   3.32642248 +1  -7.12228839 +1
  H   -12.98436750 +1   1.62195096 +1  -7.58348092 +1
  H   -12.82521808 +1   2.28437888 +1 -10.03004845 +1
  H   -12.83270778 +1   3.98882641 +1  -9.56902130 +1
  H   -15.09922762 +1   3.68145667 +1  -8.46692630 +1
  H   -15.09122995 +1   1.97620530 +1  -8.92493861 +1
  H   -14.93364592 +1   2.63373972 +1 -11.37283587 +1
  H   -14.93947671 +1   4.33850846 +1 -10.91620846 +1
  H   -17.20655449 +1   4.03697005 +1  -9.81383013 +1
  H   -17.20044441 +1   2.33021976 +1 -10.26777964 +1
  H   -18.50656878 +1   3.68476093 +1 -11.93340145 +1
  H   -17.08866079 +1   2.98014680 +1 -12.71777135 +1
  H   -17.09071393 +1   4.68850217 +1 -12.26532001 +1