PM7 Accuracy

cis octahydro-2h-inden-2-one    861 cis Octahydro-2H-inden-2-one

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    #  Species Formula
   851 tert-Butyl isobutyl etherC8H18O
   852 3,4-Dihydro-1H-2-benzopyranC9H10O
   853 3,4-Dihydro-2H-1-benzopyranC9H10O
   854 Benzyl methyl ketoneC9H10O
   855 2(-1-Methylethyl)-phenolC9H12O
   856 2,4,6-Trimethyl phenolC9H12O
   857 3(-1-Methylethyl)-phenolC9H12O
   858 4-(-1-Methylethyl)-phenolC9H12O
   859 2,6,6-Trimethyl-2-cyclohexen-1-oneC9H14O
   860 Bicycle[3.3.1]nonan-9-one -check -3-oneC9H14O
   861 cis Octahydro-2H-inden-2-one C9H14O
   862 trans Octahydro-2H-inden-2-oneC9H14O
   863 CyclononanoneC9H16O
   864 2,6-Dimethyl-4-heptanoneC9H18O
   865 2-NonanoneC9H18O
   866 3,3,4,4-Tetramethyl-2-pentanoneC9H18O
   867 5-NonanoneC9H18O
   868 Di-tert-butyl ketoneC9H18O
   869 1-NonanolC9H20O
   870 Amyl-t-butyl etherC9H20O
   871 Butyl 1,1-dimethylpropyl etherC9H20O


DHf: -59.7 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
cis Octahydro-2H-inden-2-one
 H=-59.66 HR=NIST
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.20167612  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.50563625  1  124.3859684  1    0.0000000  0     2     1     0
  C     1.53763244  1  106.8523562  1  179.8387039  1     3     2     1
  C     1.50563161  1  124.3437873  1  179.7689233  1     2     1     3
  C     1.53757225  1  106.8458976  1  179.8548804  1     5     2     1
  C     1.53341964  1  111.3549707  1 -122.6070261  1     4     3     2
  C     1.53316276  1  110.6237022  1  174.5843118  1     7     4     3
  C     1.53978250  1  112.3210322  1  -53.8301868  1     8     7     4
  C     1.53313289  1  112.2904655  1   -0.6543249  1     9     8     7
  H     1.10554253  1  110.4676565  1  122.0263390  1     3     2     4
  H     1.10625855  1  110.1038825  1  115.3896594  1     3     2    11
  H     1.11412794  1  109.4503100  1 -119.7628329  1     4     3     7
  H     1.10542170  1  110.5209755  1 -122.0658181  1     5     2     6
  H     1.10630118  1  110.0667329  1 -115.3908883  1     5     2    14
  H     1.11410568  1  109.4567587  1 -116.8000856  1     6     5     2
  H     1.10585302  1  110.0141752  1  121.7002078  1     7     4     8
  H     1.10672789  1  110.3591267  1  116.4345055  1     7     4    17
  H     1.10603089  1  109.5601534  1  122.1916101  1     8     7     9
  H     1.10563525  1  109.4450099  1  115.3529946  1     8     7    19
  H     1.10603105  1  109.6802894  1  122.0860156  1     9     8    10
  H     1.10553450  1  109.9761764  1  115.7210435  1     9     8    21
  H     1.10588740  1  109.9349403  1  176.1592217  1    10     9     8
  H     1.10645947  1  109.9204001  1  116.2589816  1    10     9    23