Accuracy

1,2,3,6,7,8-hexahydropyrene    370 1,2,3,6,7,8-Hexahydropyrene

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    #  Species Formula
   360 n-NonylcyclohexaneC15H30
   361 PentadecaneC15H32
   362 FluorantheneC16H10
   363 PyreneC16H10
   364 2,7-DimethylphenanthreneC16H14
   365 4,5,9,10-TetrahydropyreneC16H14
   366 9,10-DimethylphenanthreneC16H14
   367 (2.2)MetaparacyclophaneC16H16
   368 [2.2]MetacyclophaneC16H16
   369 [2.2]ParacyclophaneC16H16
   370 1,2,3,6,7,8-Hexahydropyrene C16H18
   371 Tricyclo[8.2.2.2]-hexadecaneC16H28
   372 1-HexadeceneC16H32
   373 DecylcyclohexaneC16H32
   374 n-UndecylcyclopentaneC16H32
   375 n-DodecylcyclopentaneC17H34
   376 UndecylcyclohexaneC17H34
   377 HeptadecaneC17H36
   378 p-TerphenylC18H14
   379 2,5-Diphenyl-1,5-hexadieneC18H18
   380 3,4,5,6-TetramethylphenanthreneC18H18


ΔHf: 9.7 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
1,2,3,6,7,8-Hexahydropyrene
 H=9.73 HR=NIST
  C    -0.00939330 +1  -0.00117662 +1   0.02023863 +1
  C     1.47993521 +1  -0.00002715 +1   0.25681488 +1
  C    -0.70861422 +1   1.19062527 +1  -0.17541659 +1
  C    -0.03149814 +1   2.52616955 +1  -0.24872915 +1
  C     1.41456629 +1   2.49996619 +1   0.25834635 +1
  C     2.13766538 +1   1.27321825 +1  -0.30005669 +1
  C     2.11722927 +1  -1.22565929 +1  -0.32825301 +1
  C     1.46719145 +1  -2.39203518 +1  -0.32894369 +1
  C     0.08888502 +1  -2.49524976 +1   0.25374485 +1
  C    -0.69285535 +1  -1.22732137 +1   0.01881966 +1
  C    -2.09561177 +1   1.15264362 +1  -0.35155712 +1
  C    -2.77104562 +1  -0.05921859 +1  -0.35234820 +1
  C    -2.07415697 +1  -1.25920433 +1  -0.17764330 +1
  C    -2.85374960 +1  -2.53770835 +1  -0.25341613 +1
  C    -2.07017468 +1  -3.75464247 +1   0.25057935 +1
  C    -0.64676913 +1  -3.72235537 +1  -0.30845087 +1
  H    -0.61007473 +1   3.28122824 +1   0.32217295 +1
  H     1.93910451 +1   3.42662492 +1  -0.03779472 +1
  H     2.09020546 +1   1.27006656 +1  -1.40570643 +1
  H     3.11612144 +1  -1.10621962 +1  -0.73290164 +1
  H     1.89078364 +1  -3.30433784 +1  -0.73410788 +1
  H    -2.64849008 +1   2.07868568 +1  -0.49431335 +1
  H    -3.84920156 +1  -0.07615092 +1  -0.49621464 +1
  H    -3.15580984 +1  -2.70288712 +1  -1.31103572 +1
  H    -2.58172613 +1  -4.68778625 +1  -0.04706279 +1
  H    -0.10374571 +1  -4.64761149 +1  -0.04710345 +1
  H     1.63946274 +1  -0.02579157 +1   1.37231716 +1
  H    -0.04885599 +1   2.87121880 +1  -1.30603448 +1
  H     1.42922045 +1   2.48102319 +1   1.36466618 +1
  H     3.20923435 +1   1.29784492 +1  -0.03436871 +1
  H     0.19226656 +1  -2.62044478 +1   1.36901860 +1
  H    -3.80023773 +1  -2.44401538 +1   0.31735948 +1
  H    -2.04464382 +1  -3.75963661 +1   1.35672959 +1
  H    -0.66834541 +1  -3.67534344 +1  -1.41382424 +1