PM7 Accuracy

1,2,3,6,7,8-hexahydropyrene    372 1,2,3,6,7,8-Hexahydropyrene

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    #  Species Formula
   362 n-NonylcyclohexaneC15H30
   363 PentadecaneC15H32
   364 FluorantheneC16H10
   365 PyreneC16H10
   366 2,7-DimethylphenanthreneC16H14
   367 4,5,9,10-TetrahydropyreneC16H14
   368 9,10-DimethylphenanthreneC16H14
   369 (2.2)MetaparacyclophaneC16H16
   370 [2.2]MetacyclophaneC16H16
   371 [2.2]ParacyclophaneC16H16
   372 1,2,3,6,7,8-Hexahydropyrene C16H18
   373 Tricyclo[8.2.2.2]-hexadecaneC16H28
   374 1-HexadeceneC16H32
   375 DecylcyclohexaneC16H32
   376 n-UndecylcyclopentaneC16H32
   377 n-DodecylcyclopentaneC17H34
   378 UndecylcyclohexaneC17H34
   379 HeptadecaneC17H36
   380 p-TerphenylC18H14
   381 2,5-Diphenyl-1,5-hexadieneC18H18
   382 3,4,5,6-TetramethylphenanthreneC18H18


DHf: 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